Spectral Graph Neural Networks (GNNs), also referred to as graph filters have gained increasing prevalence for heterophily graphs. Optimal graph filters rely on Laplacian eigendecomposition for Fourier transform. In an attempt to avert the prohibitive computations, numerous polynomial filters by leveraging distinct polynomials have been proposed to approximate the desired graph filters. However, polynomials in the majority of polynomial filters are predefined and remain fixed across all graphs, failing to accommodate the diverse heterophily degrees across different graphs. To tackle this issue, we first investigate the correlation between polynomial bases of desired graph filters and the degrees of graph heterophily via a thorough theoretical analysis. Afterward, we develop an adaptive heterophily basis by incorporating graph heterophily degrees. Subsequently, we integrate this heterophily basis with the homophily basis, creating a universal polynomial basis UniBasis. In consequence, we devise a general polynomial filter UniFilter. Comprehensive experiments on both real-world and synthetic datasets with varying heterophily degrees significantly support the superiority of UniFilter, demonstrating the effectiveness and generality of UniBasis, as well as its promising capability as a new method for graph analysis.  ( 2 min )

Mobile autonomy relies on the precise perception of dynamic environments. Robustly tracking moving objects in 3D world thus plays a pivotal role for applications like trajectory prediction, obstacle avoidance, and path planning. While most current methods utilize LiDARs or cameras for Multiple Object Tracking (MOT), the capabilities of 4D imaging radars remain largely unexplored. Recognizing the challenges posed by radar noise and point sparsity in 4D radar data, we introduce RaTrack, an innovative solution tailored for radar-based tracking. Bypassing the typical reliance on specific object types and 3D bounding boxes, our method focuses on motion segmentation and clustering, enriched by a motion estimation module. Evaluated on the View-of-Delft dataset, RaTrack showcases superior tracking precision of moving objects, largely surpassing the performance of the state of the art.  ( 2 min )

Spiking Neural Networks (SNNs) are biologically plausible models that have been identified as potentially apt for deploying energy-efficient intelligence at the edge, particularly for sequential learning tasks. However, training of SNNs poses significant challenges due to the necessity for precise temporal and spatial credit assignment. Back-propagation through time (BPTT) algorithm, whilst the most widely used method for addressing these issues, incurs a high computational cost due to its temporal dependency. In this work, we propose S-TLLR, a novel three-factor temporal local learning rule inspired by the Spike-Timing Dependent Plasticity (STDP) mechanism, aimed at training deep SNNs on event-based learning tasks. Furthermore, S-TLLR is designed to have low memory and time complexities, which are independent of the number of time steps, rendering it suitable for online learning on low-power edge devices. To demonstrate the scalability of our proposed method, we have conducted extensive evaluations on event-based datasets spanning a wide range of applications, such as image and gesture recognition, audio classification, and optical flow estimation. In all the experiments, S-TLLR achieved high accuracy, comparable to BPTT, with a reduction in memory between $5-50\times$ and multiply-accumulate (MAC) operations between $1.3-6.6\times$.  ( 2 min )

We study the problem of learning good heuristic functions for classical planning tasks with neural networks based on samples represented by states with their cost-to-goal estimates. The heuristic function is learned for a state space and goal condition with the number of samples limited to a fraction of the size of the state space, and must generalize well for all states of the state space with the same goal condition. Our main goal is to better understand the influence of sample generation strategies on the performance of a greedy best-first heuristic search (GBFS) guided by a learned heuristic function. In a set of controlled experiments, we find that two main factors determine the quality of the learned heuristic: which states are included in the sample set and the quality of the cost-to-goal estimates. These two factors are dependent: having perfect cost-to-goal estimates is insufficient if the samples are not well distributed across the state space. We also study other effects, such as adding samples with high-value estimates. Based on our findings, we propose practical strategies to improve the quality of learned heuristics: three strategies that aim to generate more representative states and two strategies that improve the cost-to-goal estimates. Our practical strategies almost double the mean coverage of a GBFS algorithm guided by a learned heuristic.  ( 3 min )

Research on control using models based on machine-learning methods has now shifted to the practical engineering stage. Achieving high performance and theoretically guaranteeing the safety of the system is critical for such applications. In this paper, we propose a learning method for exactly linearizable dynamical models that can easily apply various control theories to ensure stability, reliability, etc., and to provide a high degree of freedom of expression. As an example, we present a design that combines simple linear control and control barrier functions. The proposed model is employed for the real-time control of an automotive engine, and the results demonstrate good predictive performance and stable control under constraints.  ( 2 min )

We consider the problem of efficient inference of the Average Treatment Effect in a sequential experiment where the policy governing the assignment of subjects to treatment or control can change over time. We first provide a central limit theorem for the Adaptive Augmented Inverse-Probability Weighted estimator, which is semiparametric efficient, under weaker assumptions than those previously made in the literature. This central limit theorem enables efficient inference at fixed sample sizes. We then consider a sequential inference setting, deriving both asymptotic and nonasymptotic confidence sequences that are considerably tighter than previous methods. These anytime-valid methods enable inference under data-dependent stopping times (sample sizes). Additionally, we use propensity score truncation techniques from the recent off-policy estimation literature to reduce the finite sample variance of our estimator without affecting the asymptotic variance. Empirical results demonstrate that our methods yield narrower confidence sequences than those previously developed in the literature while maintaining time-uniform error control.  ( 2 min )

The recent discovery of a connection between Transformers and Modern Hopfield Networks (MHNs) has reignited the study of neural networks from a physical energy-based perspective. This paper focuses on the pivotal effect of the inverse temperature hyperparameter $\beta$ on the distribution of energy minima of the MHN. To achieve this, the distribution of energy minima is tracked in a simplified MHN in which equidistant normalised patterns are stored. This network demonstrates a phase transition at a critical temperature $\beta_{\text{c}}$, from a single global attractor towards highly pattern specific minima as $\beta$ is increased. Importantly, the dynamics are not solely governed by the hyperparameter $\beta$ but are instead determined by an effective inverse temperature $\beta_{\text{eff}}$ which also depends on the distribution and size of the stored patterns. Recognizing the role of hyperparameters in the MHN could, in the future, aid researchers in the domain of Transformers to optimise their initial choices, potentially reducing the necessity for time and energy expensive hyperparameter fine-tuning.  ( 2 min )

The aim of this study was to develop a method that would identify the cluster centroids and the optimal number of clusters for a given sensitivity level and could work equally well for the different sequence datasets. A novel method that combines the linear mapping hash function and multiple sequence alignment (MSA) was developed. This method takes advantage of the already sorted by similarity sequences from the MSA output, and identifies the optimal number of clusters, clusters cut-offs, and clusters centroids that can represent reference gene vouchers for the different species. The linear mapping hash function can map an already ordered by similarity distance matrix to indices to reveal gaps in the values around which the optimal cut-offs of the different clusters can be identified. The method was evaluated using sets of closely related (16S rRNA gene sequences of Nocardia species) and highly variable (VP1 genomic region of Enterovirus 71) sequences and outperformed existing unsupervised machine learning clustering methods and dimensionality reduction methods. This method does not require prior knowledge of the number of clusters or the distance between clusters, handles clusters of different sizes and shapes, and scales linearly with the dataset. The combination of MSA with the linear mapping hash function is a computationally efficient way of gene sequence clustering and can be a valuable tool for the assessment of similarity, clustering of different microbial genomes, identifying reference sequences, and for the study of evolution of bacteria and viruses.  ( 3 min )

Climate hazards can cause major disasters when they occur simultaneously as compound hazards. To understand the distribution of climate risk and inform adaptation policies, scientists need to simulate a large number of physically realistic and spatially coherent events. Current methods are limited by computational constraints and the probabilistic spatial distribution of compound events is not given sufficient attention. The bottleneck in current approaches lies in modelling the dependence structure between variables, as inference on parametric models suffers from the curse of dimensionality. Generative adversarial networks (GANs) are well-suited to such a problem due to their ability to implicitly learn the distribution of data in high-dimensional settings. We employ a GAN to model the dependence structure for daily maximum wind speed, significant wave height, and total precipitation over the Bay of Bengal, combining this with traditional extreme value theory for controlled extrapolation of the tails. Once trained, the model can be used to efficiently generate thousands of realistic compound hazard events, which can inform climate risk assessments for climate adaptation and disaster preparedness. The method developed is flexible and transferable to other multivariate and spatial climate datasets.  ( 2 min )

Inference of community structure in probabilistic graphical models may not be consistent with fairness constraints when nodes have demographic attributes. Certain demographics may be over-represented in some detected communities and under-represented in others. This paper defines a novel $\ell_1$-regularized pseudo-likelihood approach for fair graphical model selection. In particular, we assume there is some community or clustering structure in the true underlying graph, and we seek to learn a sparse undirected graph and its communities from the data such that demographic groups are fairly represented within the communities. In the case when the graph is known a priori, we provide a convex semidefinite programming approach for fair community detection. We establish the statistical consistency of the proposed method for both a Gaussian graphical model and an Ising model for, respectively, continuous and binary data, proving that our method can recover the graphs and their fair communities with high probability.  ( 2 min )

Training can improve human decision-making performance. After several training sessions, a person can quickly and accurately complete a task. However, decision-making is always a trade-off between accuracy and response time. Factors such as age and drug abuse can affect the decision-making process. This study examines how training can improve the performance of different age groups in completing a random dot motion (RDM) task. The participants are divided into two groups: old and young. They undergo a three-phase training and then repeat the same RDM task. The hierarchical drift-diffusion model analyzes the subjects' responses and determines how the model's parameters change after training for both age groups. The results show that after training, the participants were able to accumulate sensory information faster, and the model drift rate increased. However, their decision boundary decreased as they became more confident and had a lower decision-making threshold. Additionally, the old group had a higher boundary and lower drift rate in both pre and post-training, and there was less difference between the two group parameters after training.  ( 2 min )

Vision Transformers (ViTs) have achieved state-of-the-art performance for various vision tasks. One reason behind the success lies in their ability to provide plausible innate explanations for the behavior of neural architectures. However, ViTs suffer from issues with explanation faithfulness, as their focal points are fragile to adversarial attacks and can be easily changed with even slight perturbations on the input image. In this paper, we propose a rigorous approach to mitigate these issues by introducing Faithful ViTs (FViTs). Briefly speaking, an FViT should have the following two properties: (1) The top-$k$ indices of its self-attention vector should remain mostly unchanged under input perturbation, indicating stable explanations; (2) The prediction distribution should be robust to perturbations. To achieve this, we propose a new method called Denoised Diffusion Smoothing (DDS), which adopts randomized smoothing and diffusion-based denoising. We theoretically prove that processing ViTs directly with DDS can turn them into FViTs. We also show that Gaussian noise is nearly optimal for both $\ell_2$ and $\ell_\infty$-norm cases. Finally, we demonstrate the effectiveness of our approach through comprehensive experiments and evaluations. Specifically, we compare our FViTs with other baselines through visual interpretation and robustness accuracy under adversarial attacks. Results show that FViTs are more robust against adversarial attacks while maintaining the explainability of attention, indicating higher faithfulness.  ( 2 min )

Contrastive learning (CL) has recently gained significant popularity in the field of recommendation. Its ability to learn without heavy reliance on labeled data is a natural antidote to the data sparsity issue. Previous research has found that CL can not only enhance recommendation accuracy but also inadvertently exhibit remarkable robustness against noise. However, this paper identifies a vulnerability of CL-based recommender systems: Compared with their non-CL counterparts, they are even more susceptible to poisoning attacks that aim to promote target items. Our analysis points to the uniform dispersion of representations led by the CL loss as the very factor that accounts for this vulnerability. We further theoretically and empirically demonstrate that the optimization of CL loss can lead to smooth spectral values of representations. Based on these insights, we attempt to reveal the potential poisoning attacks against CL-based recommender systems. The proposed attack encompasses a dual-objective framework: One that induces a smoother spectral value distribution to amplify the CL loss's inherent dispersion effect, named dispersion promotion; and the other that directly elevates the visibility of target items, named rank promotion. We validate the destructiveness of our attack model through extensive experimentation on four datasets. By shedding light on these vulnerabilities, we aim to facilitate the development of more robust CL-based recommender systems.  ( 2 min )

This paper presents an experiment of automatically scoring handwritten descriptive answers in the trial tests for the new Japanese university entrance examination, which were made for about 120,000 examinees in 2017 and 2018. There are about 400,000 answers with more than 20 million characters. Although all answers have been scored by human examiners, handwritten characters are not labeled. We present our attempt to adapt deep neural network-based handwriting recognizers trained on a labeled handwriting dataset into this unlabeled answer set. Our proposed method combines different training strategies, ensembles multiple recognizers, and uses a language model built from a large general corpus to avoid overfitting into specific data. In our experiment, the proposed method records character accuracy of over 97% using about 2,000 verified labeled answers that account for less than 0.5% of the dataset. Then, the recognized answers are fed into a pre-trained automatic scoring system based on the BERT model without correcting misrecognized characters and providing rubric annotations. The automatic scoring system achieves from 0.84 to 0.98 of Quadratic Weighted Kappa (QWK). As QWK is over 0.8, it represents an acceptable similarity of scoring between the automatic scoring system and the human examiners. These results are promising for further research on end-to-end automatic scoring of descriptive answers.

Artificial intelligence (AI) is a powerful tool for reshaping healthcare systems. In healthcare, AI is invaluable for its capacity to manage vast amounts of data, which can lead to more accurate and speedy diagnoses, ultimately easing the workload on healthcare professionals. As a result, AI has proven itself to be a power tool across various industries, simplifying complex tasks and pattern recognition that would otherwise be overwhelming for humans or traditional computer algorithms. In this paper, we review the strengths and weaknesses of Bayesian Ridge Regression, an AI model that can be used to bring cutting edge virus analysis to healthcare professionals around the world. The model's accuracy assessment revealed promising results, with room for improvement primarily related to data organization. In addition, the severity index serves as a valuable tool to gain a broad overview of patient care needs, aligning with healthcare professionals' preference for broader categorizations.

Despite the ability to train capable LLMs, the methodology for maintaining their relevancy and rectifying errors remains elusive. To this end, the past few years have witnessed a surge in techniques for editing LLMs, the objective of which is to efficiently alter the behavior of LLMs within a specific domain without negatively impacting performance across other inputs. This paper embarks on a deep exploration of the problems, methods, and opportunities related to model editing for LLMs. In particular, we provide an exhaustive overview of the task definition and challenges associated with model editing, along with an in-depth empirical analysis of the most progressive methods currently at our disposal. We also build a new benchmark dataset to facilitate a more robust evaluation and pinpoint enduring issues intrinsic to existing techniques. Our objective is to provide valuable insights into the effectiveness and feasibility of each editing technique, thereby assisting the community in making informed decisions on the selection of the most appropriate method for a specific task or context. Code and datasets are available at https://github.com/zjunlp/EasyEdit.

In the pharmaceutical industry, the use of artificial intelligence (AI) has seen consistent growth over the past decade. This rise is attributed to major advancements in statistical machine learning methodologies, computational capabilities and the increased availability of large datasets. AI techniques are applied throughout different stages of drug development, ranging from drug discovery to post-marketing benefit-risk assessment. Kolluri et al. provided a review of several case studies that span these stages, featuring key applications such as protein structure prediction, success probability estimation, subgroup identification, and AI-assisted clinical trial monitoring. From a regulatory standpoint, there was a notable uptick in submissions incorporating AI components in 2021. The most prevalent therapeutic areas leveraging AI were oncology (27%), psychiatry (15%), gastroenterology (12%), and neurology (11%). The paradigm of personalized or precision medicine has gained significant traction in recent research, partly due to advancements in AI techniques \cite{hamburg2010path}. This shift has had a transformative impact on the pharmaceutical industry. Departing from the traditional "one-size-fits-all" model, personalized medicine incorporates various individual factors, such as environmental conditions, lifestyle choices, and health histories, to formulate customized treatment plans. By utilizing sophisticated machine learning algorithms, clinicians and researchers are better equipped to make informed decisions in areas such as disease prevention, diagnosis, and treatment selection, thereby optimizing health outcomes for each individual.

Our work presents a novel approach to shape optimization, with the twofold objective to improve the efficiency of global optimization algorithms while promoting the generation of high-quality designs during the optimization process free of geometrical anomalies. This is accomplished by reducing the number of the original design variables defining a new reduced subspace where the geometrical variance is maximized and modeling the underlying generative process of the data via probabilistic linear latent variable models such as factor analysis and probabilistic principal component analysis. We show that the data follows approximately a Gaussian distribution when the shape modification method is linear and the design variables are sampled uniformly at random, due to the direct application of the central limit theorem. The degree of anomalousness is measured in terms of Mahalanobis distance, and the paper demonstrates that abnormal designs tend to exhibit a high value of this metric. This enables the definition of a new optimization model where anomalous geometries are penalized and consequently avoided during the optimization loop. The procedure is demonstrated for hull shape optimization of the DTMB 5415 model, extensively used as an international benchmark for shape optimization problems. The global optimization routine is carried out using Bayesian optimization and the DIRECT algorithm. From the numerical results, the new framework improves the convergence of global optimization algorithms, while only designs with high-quality geometrical features are generated through the optimization routine thereby avoiding the wastage of precious computationally expensive simulations.

Diffusion probabilistic models (DPMs) are a key component in modern generative models. DPM-solvers have achieved reduced latency and enhanced quality significantly, but have posed challenges to find the exact inverse (i.e., finding the initial noise from the given image). Here we investigate the exact inversions for DPM-solvers and propose algorithms to perform them when samples are generated by the first-order as well as higher-order DPM-solvers. For each explicit denoising step in DPM-solvers, we formulated the inversions using implicit methods such as gradient descent or forward step method to ensure the robustness to large classifier-free guidance unlike the prior approach using fixed-point iteration. Experimental results demonstrated that our proposed exact inversion methods significantly reduced the error of both image and noise reconstructions, greatly enhanced the ability to distinguish invisible watermarks and well prevented unintended background changes consistently during image editing. Project page: \url{https://smhongok.github.io/inv-dpm.html}.

This paper revisits the pipeline for detecting objects in images with proposals. For any object detector, the obtained box proposals or queries need to be classified and regressed towards ground truth boxes. The common solution for the final predictions is to directly maximize the overlap between each proposal and the ground truth box, followed by a winner-takes-all ranking or non-maximum suppression. In this work, we propose a simple yet effective alternative. For proposal regression, we solve a simpler problem where we regress to the area of intersection between proposal and ground truth. In this way, each proposal only specifies which part contains the object, avoiding a blind inpainting problem where proposals need to be regressed beyond their visual scope. In turn, we replace the winner-takes-all strategy and obtain the final prediction by taking the union over the regressed intersections of a proposal group surrounding an object. Our revisited approach comes with minimal changes to the detection pipeline and can be plugged into any existing method. We show that our approach directly improves canonical object detection and instance segmentation architectures, highlighting the utility of intersection-based regression and grouping.

Personalized federated learning (pFL) enables collaborative training among multiple clients to enhance the capability of customized local models. In pFL, clients may have heterogeneous (also known as non-IID) data, which poses a key challenge in how to decouple the data knowledge into generic knowledge for global sharing and personalized knowledge for preserving local personalization. A typical way of pFL focuses on label distribution skew, and they adopt a decoupling scheme where the model is split into a common feature extractor and two prediction heads (generic and personalized). However, such a decoupling scheme cannot solve the essential problem of feature skew heterogeneity, because a common feature extractor cannot decouple the generic and personalized features. Therefore, in this paper, we rethink the architecture decoupling design for feature-skew pFL and propose an effective pFL method called FediOS. In FediOS, we reformulate the decoupling into two feature extractors (generic and personalized) and one shared prediction head. Orthogonal projections are used for clients to map the generic features into one common subspace and scatter the personalized features into different subspaces to achieve decoupling for them. In addition, a shared prediction head is trained to balance the importance of generic and personalized features during inference. Extensive experiments on four vision datasets demonstrate our method reaches state-of-the-art pFL performances under feature skew heterogeneity.

Automated content filtering and moderation is an important tool that allows online platforms to build striving user communities that facilitate cooperation and prevent abuse. Unfortunately, resourceful actors try to bypass automated filters in a bid to post content that violate platform policies and codes of conduct. To reach this goal, these malicious actors may obfuscate policy violating images (e.g. overlay harmful images by carefully selected benign images or visual patterns) to prevent machine learning models from reaching the correct decision. In this paper, we invite researchers to tackle this specific issue and present a new image benchmark. This benchmark, based on ImageNet, simulates the type of obfuscations created by malicious actors. It goes beyond ImageNet-$\textrm{C}$ and ImageNet-$\bar{\textrm{C}}$ by proposing general, drastic, adversarial modifications that preserve the original content intent. It aims to tackle a more common adversarial threat than the one considered by $\ell_p$-norm bounded adversaries. We evaluate 33 pretrained models on the benchmark and train models with different augmentations, architectures and training methods on subsets of the obfuscations to measure generalization. We hope this benchmark will encourage researchers to test their models and methods and try to find new approaches that are more robust to these obfuscations.

Drawing inspiration from prompt tuning techniques applied to Large Language Models, recent methods based on pre-trained ViT networks have achieved remarkable results in the field of Continual Learning. Specifically, these approaches propose to maintain a set of prompts and allocate a subset of them to learn each task using a key-query matching strategy. However, they may encounter limitations when lacking control over the correlations between old task queries and keys of future tasks, the shift of features in the latent space, and the relative separation of latent vectors learned in independent tasks. In this work, we introduce a novel key-query learning strategy based on orthogonal projection, inspired by model-agnostic meta-learning, to enhance prompt matching efficiency and address the challenge of shifting features. Furthermore, we introduce a One-Versus-All (OVA) prototype-based component that enhances the classification head distinction. Experimental results on benchmark datasets demonstrate that our method empowers the model to achieve results surpassing those of current state-of-the-art approaches by a large margin of up to 20%.

Vision-language models (VLMs) pre-trained on web-scale datasets have demonstrated remarkable capabilities on downstream tasks when fine-tuned with minimal data. However, many VLMs rely on proprietary data and are not open-source, which restricts the use of white-box approaches for fine-tuning. As such, we aim to develop a black-box approach to optimize VLMs through natural language prompts, thereby avoiding the need to access model parameters, feature embeddings, or even output logits. We propose employing chat-based LLMs to search for the best text prompt for VLMs. Specifically, we adopt an automatic hill-climbing procedure that converges to an effective prompt by evaluating the performance of current prompts and asking LLMs to refine them based on textual feedback, all within a conversational process without human-in-the-loop. In a challenging 1-shot image classification setup, our simple approach surpasses the white-box continuous prompting method (CoOp) by an average of 1.5% across 11 datasets including ImageNet. Our approach also outperforms both human-engineered and LLM-generated prompts. We highlight the advantage of conversational feedback that incorporates both positive and negative prompts, suggesting that LLMs can utilize the implicit gradient direction in textual feedback for a more efficient search. In addition, we find that the text prompts generated through our strategy are not only more interpretable but also transfer well across different VLM architectures in a black-box manner. Lastly, we demonstrate our framework on a state-of-the-art black-box VLM (DALL-E 3) for text-to-image optimization.

Imitation Learning (IL) holds great promise for enabling agile locomotion in embodied agents. However, many existing locomotion benchmarks primarily focus on simplified toy tasks, often failing to capture the complexity of real-world scenarios and steering research toward unrealistic domains. To advance research in IL for locomotion, we present a novel benchmark designed to facilitate rigorous evaluation and comparison of IL algorithms. This benchmark encompasses a diverse set of environments, including quadrupeds, bipeds, and musculoskeletal human models, each accompanied by comprehensive datasets, such as real noisy motion capture data, ground truth expert data, and ground truth sub-optimal data, enabling evaluation across a spectrum of difficulty levels. To increase the robustness of learned agents, we provide an easy interface for dynamics randomization and offer a wide range of partially observable tasks to train agents across different embodiments. Finally, we provide handcrafted metrics for each task and ship our benchmark with state-of-the-art baseline algorithms to ease evaluation and enable fast benchmarking.

Mixed linear regression (MLR) is a powerful model for characterizing nonlinear relationships by utilizing a mixture of linear regression sub-models. The identification of MLR is a fundamental problem, where most of the existing results focus on offline algorithms, rely on independent and identically distributed (i.i.d) data assumptions, and provide local convergence results only. This paper investigates the online identification and data clustering problems for two basic classes of MLRs, by introducing two corresponding new online identification algorithms based on the expectation-maximization (EM) principle. It is shown that both algorithms will converge globally without resorting to the traditional i.i.d data assumptions. The main challenge in our investigation lies in the fact that the gradient of the maximum likelihood function does not have a unique zero, and a key step in our analysis is to establish the stability of the corresponding differential equation in order to apply the celebrated Ljung's ODE method. It is also shown that the within-cluster error and the probability that the new data is categorized into the correct cluster are asymptotically the same as those in the case of known parameters. Finally, numerical simulations are provided to verify the effectiveness of our online algorithms.

This paper studies the one-shot behavior of no-regret algorithms for stochastic bandits. Although many algorithms are known to be asymptotically optimal with respect to the expected regret, over a single run, their pseudo-regret seems to follow one of two tendencies: it is either smooth or bumpy. To measure this tendency, we introduce a new notion: the sliding regret, that measures the worst pseudo-regret over a time-window of fixed length sliding to infinity. We show that randomized methods (e.g. Thompson Sampling and MED) have optimal sliding regret, while index policies, although possibly asymptotically optimal for the expected regret, have the worst possible sliding regret under regularity conditions on their index (e.g. UCB, UCB-V, KL-UCB, MOSS, IMED etc.). We further analyze the average bumpiness of the pseudo-regret of index policies via the regret of exploration, that we show to be suboptimal as well.

Federated Learning (FL) is a novel privacy-protection distributed machine learning paradigm that guarantees user privacy and prevents the risk of data leakage due to the advantage of the client's local training. Researchers have struggled to design fair FL systems that ensure fairness of results. However, the interplay between fairness and privacy has been less studied. Increasing the fairness of FL systems can have an impact on user privacy, while an increase in user privacy can affect fairness. In this work, on the client side, we use fairness metrics, such as Demographic Parity (DemP), Equalized Odds (EOs), and Disparate Impact (DI), to construct the local fair model. To protect the privacy of the client model, we propose a privacy-protection fairness FL method. The results show that the accuracy of the fair model with privacy increases because privacy breaks the constraints of the fairness metrics. In our experiments, we conclude the relationship between privacy, fairness and utility, and there is a tradeoff between these.

We extend JAX with the capability to automatically differentiate higher-order functions (functionals and operators). By representing functions as a generalization of arrays, we seamlessly use JAX's existing primitive system to implement higher-order functions. We present a set of primitive operators that serve as foundational building blocks for constructing several key types of functionals. For every introduced primitive operator, we derive and implement both linearization and transposition rules, aligning with JAX's internal protocols for forward and reverse mode automatic differentiation. This enhancement allows for functional differentiation in the same syntax traditionally use for functions. The resulting functional gradients are themselves functions ready to be invoked in python. We showcase this tool's efficacy and simplicity through applications where functional derivatives are indispensable. The source code of this work is released at https://github.com/sail-sg/autofd .

We present Compound Conditioned ControlNet, C3Net, a novel generative neural architecture taking conditions from multiple modalities and synthesizing multimodal contents simultaneously (e.g., image, text, audio). C3Net adapts the ControlNet architecture to jointly train and make inferences on a production-ready diffusion model and its trainable copies. Specifically, C3Net first aligns the conditions from multi-modalities to the same semantic latent space using modality-specific encoders based on contrastive training. Then, it generates multimodal outputs based on the aligned latent space, whose semantic information is combined using a ControlNet-like architecture called Control C3-UNet. Correspondingly, with this system design, our model offers an improved solution for joint-modality generation through learning and explaining multimodal conditions instead of simply taking linear interpolations on the latent space. Meanwhile, as we align conditions to a unified latent space, C3Net only requires one trainable Control C3-UNet to work on multimodal semantic information. Furthermore, our model employs unimodal pretraining on the condition alignment stage, outperforming the non-pretrained alignment even on relatively scarce training data and thus demonstrating high-quality compound condition generation. We contribute the first high-quality tri-modal validation set to validate quantitatively that C3Net outperforms or is on par with first and contemporary state-of-the-art multimodal generation. Our codes and tri-modal dataset will be released.

Designing spatio-temporal forecasting models separately in a task-wise and city-wise manner poses a burden for the expanding transportation network companies. Therefore, a multi-task learning architecture is proposed in this study by developing gated ensemble of spatio-temporal mixture of experts network (GESME-Net) with convolutional recurrent neural network (CRNN), convolutional neural network (CNN), and recurrent neural network (RNN) for simultaneously forecasting spatio-temporal tasks in a city as well as across different cities. Furthermore, a task adaptation layer is integrated with the architecture for learning joint representation in multi-task learning and revealing the contribution of the input features utilized in prediction. The proposed architecture is tested with data from Didi Chuxing for: (i) simultaneously forecasting demand and supply-demand gap in Beijing, and (ii) simultaneously forecasting demand across Chengdu and Xian. In both scenarios, models from our proposed architecture outperformed the single-task and multi-task deep learning benchmarks and ensemble-based machine learning algorithms.

In Reinforcement Learning (RL), agents have no incentive to exhibit predictable behaviors, and are often pushed (through e.g. policy entropy regularization) to randomize their actions in favor of exploration. From a human perspective, this makes RL agents hard to interpret and predict, and from a safety perspective, even harder to formally verify. We propose a novel method to induce predictable behavior in RL agents, referred to as Predictability-Aware RL (PA-RL), which employs the state sequence entropy rate as a predictability measure. We show how the entropy rate can be formulated as an average reward objective, and since its entropy reward function is policy-dependent, we introduce an action-dependent surrogate entropy enabling the use of PG methods. We prove that deterministic policies minimizing the average surrogate reward exist and also minimize the actual entropy rate, and show how, given a learned dynamical model, we are able to approximate the value function associated to the true entropy rate. Finally, we demonstrate the effectiveness of the approach in RL tasks inspired by human-robot use-cases, and show how it produces agents with more predictable behavior while achieving near-optimal rewards.

To protect an organizations' endpoints from sophisticated cyberattacks, advanced detection methods are required. In this research, we present GCNetOmaly: a graph convolutional network (GCN)-based variational autoencoder (VAE) anomaly detector trained on data that include connection events among internal and external machines. As input, the proposed GCN-based VAE model receives two matrices: (i) the normalized adjacency matrix, which represents the connections among the machines, and (ii) the feature matrix, which includes various features (demographic, statistical, process-related, and Node2vec structural features) that are used to profile the individual nodes/machines. After training the model on data collected for a predefined time window, the model is applied on the same data; the reconstruction score obtained by the model for a given machine then serves as the machine's anomaly score. GCNetOmaly was evaluated on real, large-scale data logged by Carbon Black EDR from a large financial organization's automated teller machines (ATMs) as well as communication with Active Directory (AD) servers in two setups: unsupervised and supervised. The results of our evaluation demonstrate GCNetOmaly's effectiveness in detecting anomalous behavior of machines on unsupervised data.

We investigate the relationship between system identification and intervention design in dynamical systems. While previous research demonstrated how identifiable representation learning methods, such as Independent Component Analysis (ICA), can reveal cause-effect relationships, it relied on a passive perspective without considering how to collect data. Our work shows that in Gaussian Linear Time-Invariant (LTI) systems, the system parameters can be identified by introducing diverse intervention signals in a multi-environment setting. By harnessing appropriate diversity assumptions motivated by the ICA literature, our findings connect experiment design and representational identifiability in dynamical systems. We corroborate our findings on synthetic and (simulated) physical data. Additionally, we show that Hidden Markov Models, in general, and (Gaussian) LTI systems, in particular, fulfil a generalization of the Causal de Finetti theorem with continuous parameters.

While federated learning (FL) systems often utilize quantization to battle communication and computational bottlenecks, they have heretofore been limited to deploying fixed-precision quantization schemes. Meanwhile, the concept of mixed-precision quantization (MPQ), where different layers of a deep learning model are assigned varying bit-width, remains unexplored in the FL settings. We present a novel FL algorithm, FedMPQ, which introduces mixed-precision quantization to resource-heterogeneous FL systems. Specifically, local models, quantized so as to satisfy bit-width constraint, are trained by optimizing an objective function that includes a regularization term which promotes reduction of precision in some of the layers without significant performance degradation. The server collects local model updates, de-quantizes them into full-precision models, and then aggregates them into a global model. To initialize the next round of local training, the server relies on the information learned in the previous training round to customize bit-width assignments of the models delivered to different clients. In extensive benchmarking experiments on several model architectures and different datasets in both iid and non-iid settings, FedMPQ outperformed the baseline FL schemes that utilize fixed-precision quantization while incurring only a minor computational overhead on the participating devices.

This paper presents an approach to learning (deep) $n$D features equivariant under orthogonal transformations, utilizing hyperspheres and regular $n$-simplexes. Our main contributions are theoretical and tackle major challenges in geometric deep learning such as equivariance and invariance under geometric transformations. Namely, we enrich the recently developed theory of steerable 3D spherical neurons -- SO(3)-equivariant filter banks based on neurons with spherical decision surfaces -- by extending said neurons to $n$D, which we call deep equivariant hyperspheres, and enabling their multi-layer construction. Using synthetic and real-world data in $n$D, we experimentally verify our theoretical contributions and find that our approach is superior to the competing methods for benchmark datasets in all but one case, additionally demonstrating a better speed/performance trade-off in all but one other case.

With the proliferation of edge computing, efficient AI inference on edge devices has become essential for intelligent applications such as autonomous vehicles and VR/AR. In this context, we address the problem of efficient remote object recognition by optimizing feature transmission between mobile devices and edge servers. We propose an online optimization framework to address the challenge of dynamic channel conditions and device mobility in an end-to-end communication system. Our approach builds upon existing methods by leveraging a semantic knowledge base to drive multi-level feature transmission, accounting for temporal factors and dynamic elements throughout the transmission process. To solve the online optimization problem, we design a novel soft actor-critic-based deep reinforcement learning system with a carefully designed reward function for real-time decision-making, overcoming the optimization difficulty of the NP-hard problem and achieving the minimization of semantic loss while respecting latency constraints. Numerical results showcase the superiority of our approach compared to traditional greedy methods under various system setups.

In the field of deep learning, the prevalence of models initially trained with 32-bit precision is a testament to its robustness and accuracy. However, the continuous evolution of these models often demands further training, which can be resource-intensive. This study introduces a novel approach where we continue the training of these pre-existing 32-bit models using 16-bit precision. This technique not only caters to the need for efficiency in computational resources but also significantly improves the speed of additional training phases. By adopting 16-bit precision for ongoing training, we are able to substantially decrease memory requirements and computational burden, thereby accelerating the training process in a resource-limited setting. Our experiments show that this method maintains the high standards of accuracy set by the original 32-bit training while providing a much-needed boost in training speed. This approach is especially pertinent in today's context, where most models are initially trained in 32-bit and require periodic updates and refinements. The findings from our research suggest that this strategy of 16-bit continuation training can be a key solution for sustainable and efficient deep learning, offering a practical way to enhance pre-trained models rapidly and in a resource-conscious manner.

Molecular docking is a key computational tool utilized to predict the binding conformations of small molecules to protein targets, which is fundamental in the design of novel drugs. Despite recent advancements in geometric deep learning-based approaches leading to improvements in blind docking efficiency, these methods have encountered notable challenges, such as limited generalization performance on unseen proteins, the inability to concurrently address the settings of blind docking and site-specific docking, and the frequent occurrence of physical implausibilities such as inter-molecular steric clash. In this study, we introduce DeltaDock, a robust and versatile framework designed for efficient molecular docking to overcome these challenges. DeltaDock operates in a two-step process: rapid initial complex structures sampling followed by multi-scale iterative refinement of the initial structures. In the initial stage, to sample accurate structures with high efficiency, we develop a ligand-dependent binding site prediction model founded on large protein models and graph neural networks. This model is then paired with GPU-accelerated sampling algorithms. The sampled structures are updated using a multi-scale iterative refinement module that captures both protein-ligand atom-atom interactions and residue-atom interactions in the following stage. Distinct from previous geometric deep learning methods that are conditioned on the blind docking setting, DeltaDock demonstrates superior performance in both blind docking and site-specific docking settings. Comprehensive experimental results reveal that DeltaDock consistently surpasses baseline methods in terms of docking accuracy. Furthermore, it displays remarkable generalization capabilities and proficiency for predicting physically valid structures, thereby attesting to its robustness and reliability in various scenarios.

Turkish is one of the most popular languages in the world. Wide us of this language on social media platforms such as Twitter, Instagram, or Tiktok and strategic position of the country in the world politics makes it appealing for the social network researchers and industry. To address this need, we introduce TurkishBERTweet, the first large scale pre-trained language model for Turkish social media built using almost 900 million tweets. The model shares the same architecture as base BERT model with smaller input length, making TurkishBERTweet lighter than BERTurk and can have significantly lower inference time. We trained our model using the same approach for RoBERTa model and evaluated on two text classification tasks: Sentiment Classification and Hate Speech Detection. We demonstrate that TurkishBERTweet outperforms the other available alternatives on generalizability and its lower inference time gives significant advantage to process large-scale datasets. We also compared our models with the commercial OpenAI solutions in terms of cost and performance to demonstrate TurkishBERTweet is scalable and cost-effective solution. As part of our research, we released TurkishBERTweet and fine-tuned LoRA adapters for the mentioned tasks under the MIT License to facilitate future research and applications on Turkish social media. Our TurkishBERTweet model is available at: https://github.com/ViralLab/TurkishBERTweet

Neural network training is inherently sequential where the layers finish the forward propagation in succession, followed by the calculation and back-propagation of gradients (based on a loss function) starting from the last layer. The sequential computations significantly slow down neural network training, especially the deeper ones. Prediction has been successfully used in many areas of computer architecture to speed up sequential processing. Therefore, we propose ADA-GP, which uses gradient prediction adaptively to speed up deep neural network (DNN) training while maintaining accuracy. ADA-GP works by incorporating a small neural network to predict gradients for different layers of a DNN model. ADA-GP uses a novel tensor reorganization method to make it feasible to predict a large number of gradients. ADA-GP alternates between DNN training using backpropagated gradients and DNN training using predicted gradients. ADA-GP adaptively adjusts when and for how long gradient prediction is used to strike a balance between accuracy and performance. Last but not least, we provide a detailed hardware extension in a typical DNN accelerator to realize the speed up potential from gradient prediction. Our extensive experiments with fifteen DNN models show that ADA-GP can achieve an average speed up of 1.47X with similar or even higher accuracy than the baseline models. Moreover, it consumes, on average, 34% less energy due to reduced off-chip memory accesses compared to the baseline accelerator.

Adept traffic models are critical to both planning and closed-loop simulation for autonomous vehicles (AV), and key design objectives include accuracy, diverse multimodal behaviors, interpretability, and downstream compatibility. Recently, with the advent of large language models (LLMs), an additional desirable feature for traffic models is LLM compatibility. We present Categorical Traffic Transformer (CTT), a traffic model that outputs both continuous trajectory predictions and tokenized categorical predictions (lane modes, homotopies, etc.). The most outstanding feature of CTT is its fully interpretable latent space, which enables direct supervision of the latent variable from the ground truth during training and avoids mode collapse completely. As a result, CTT can generate diverse behaviors conditioned on different latent modes with semantic meanings while beating SOTA on prediction accuracy. In addition, CTT's ability to input and output tokens enables integration with LLMs for common-sense reasoning and zero-shot generalization.

Recent approaches for semantic correspondence have focused on obtaining high-quality correspondences using a complicated network, refining the ambiguous or noisy matching points. Despite their performance improvements, they remain constrained by the limited training pairs due to costly point-level annotations. This paper proposes a simple yet effective method that performs training with unlabeled pairs to complement both limited image pairs and sparse point pairs, requiring neither extra labeled keypoints nor trainable modules. We fundamentally extend the data quantity and variety by augmenting new unannotated pairs not primitively provided as training pairs in benchmarks. Using a simple teacher-student framework, we offer reliable pseudo correspondences to the student network via machine supervision. Finally, the performance of our network is steadily improved by the proposed iterative training, putting back the student as a teacher to generate refined labels and train a new student repeatedly. Our models outperform the milestone baselines, including state-of-the-art methods on semantic correspondence benchmarks.

Practitioners building classifiers often start with a smaller pilot dataset and plan to grow to larger data in the near future. Such projects need a toolkit for extrapolating how much classifier accuracy may improve from a 2x, 10x, or 50x increase in data size. While existing work has focused on finding a single "best-fit" curve using various functional forms like power laws, we argue that modeling and assessing the uncertainty of predictions is critical yet has seen less attention. In this paper, we propose a Gaussian process model to obtain probabilistic extrapolations of accuracy or similar performance metrics as dataset size increases. We evaluate our approach in terms of error, likelihood, and coverage across six datasets. Though we focus on medical tasks and image modalities, our open source approach generalizes to any kind of classifier.

We consider a multi-class queueing model of a telephone call center, in which a system manager dynamically allocates available servers to customer calls. Calls can terminate through either service completion or customer abandonment, and the manager strives to minimize the expected total of holding costs plus abandonment costs over a finite horizon. Focusing on the Halfin-Whitt heavy traffic regime, we derive an approximating diffusion control problem, and building on earlier work by Han et al. (2018), develop a simulation-based computational method for solution of such problems, one that relies heavily on deep neural network technology. Using this computational method, we propose a policy for the original (pre-limit) call center scheduling problem. Finally, the performance of this policy is assessed using test problems based on publicly available call center data. For the test problems considered so far, our policy does as well as the best benchmark we could find. Moreover, our method is computationally feasible at least up to dimension 100, that is, for call centers with 100 or more distinct customer classes.

Machine learning prediction of organic materials properties is an efficient virtual screening method ahead of more expensive screening methods. However, this approach has suffered from insufficient labeled data on organic materials to train state-of-the-art machine learning models. In this study, we demonstrate that drug-like small molecule and chemical reaction databases can be used to pretrain the BERT model for the virtual screening of organic materials. Among the BERT models fine-tuned by five virtual screening tasks on organic materials, the USPTO-SMILES pretrained BERT model had R2 > 0.90 for two tasks and R2 > 0.82 for one, which was generally superior to the same models pretrained by the small molecule or organic materials databases, as well as to the other three traditional machine learning models trained directly on the virtual screening task data. The superior performance of the USPTO-SMILES pretrained BERT model is due to the greater variety of organic building blocks in the USPTO database and the broader coverage of the chemical space. The even better performance of the BERT model pretrained externally from a chemical reaction database with additional sources of chemical reactions strengthens our proof of concept that transfer learning across different chemical domains is practical for the virtual screening of organic materials.

Text-based games (TGs) are language-based interactive environments for reinforcement learning. While language models (LMs) and knowledge graphs (KGs) are commonly used for handling large action space in TGs, it is unclear whether these techniques are necessary or overused. In this paper, we revisit the challenge of exploring the action space in TGs and propose $ \epsilon$-admissible exploration, a minimal approach of utilizing admissible actions, for training phase. Additionally, we present a text-based actor-critic (TAC) agent that produces textual commands for game, solely from game observations, without requiring any KG or LM. Our method, on average across 10 games from Jericho, outperforms strong baselines and state-of-the-art agents that use LM and KG. Our approach highlights that a much lighter model design, with a fresh perspective on utilizing the information within the environments, suffices for an effective exploration of exponentially large action spaces.

Micro RNAs (miRNA) are a type of non-coding RNA, which are involved in gene regulation and can be associated with diseases such as cancer, cardiovascular and neurological diseases. As such, identifying the entire genome of miRNA can be of great relevance. Since experimental methods for novel precursor miRNA (pre-miRNA) detection are complex and expensive, computational detection using ML could be useful. Existing ML methods are often complex black boxes, which do not create an interpretable structural description of pre-miRNA. In this paper, we propose a novel framework, which makes use of generative modeling through Variational Auto-Encoders to uncover the generative factors of pre-miRNA. After training the VAE, the pre-miRNA description is developed using a decision tree on the lower dimensional latent space. Applying the framework to miRNA classification, we obtain a high reconstruction and classification performance, while also developing an accurate miRNA description.

Information processing relying on biochemical interactions in the cellular environment is essential for biological organisms. The implementation of molecular computational systems holds significant interest and potential in the fields of synthetic biology and molecular computation. This two-part article aims to introduce a programmable biochemical reaction network (BCRN) system endowed with mass action kinetics that realizes the fully connected neural network (FCNN) and has the potential to act automatically in vivo. In part I, the feedforward propagation computation, the backpropagation component, and all bridging processes of FCNN are ingeniously designed as specific BCRN modules based on their dynamics. This approach addresses a design gap in the biochemical assignment module and judgment termination module and provides a novel precise and robust realization of bi-molecular reactions for the learning process. Through equilibrium approaching, we demonstrate that the designed BCRN system achieves FCNN functionality with exponential convergence to target computational results, thereby enhancing the theoretical support for such work. Finally, the performance of this construction is further evaluated on two typical logic classification problems.

Cycles are fundamental elements in graph-structured data and have demonstrated their effectiveness in enhancing graph learning models. To encode such information into a graph learning framework, prior works often extract a summary quantity, ranging from the number of cycles to the more sophisticated persistence diagram summaries. However, more detailed information, such as which edges are encoded in a cycle, has not yet been used in graph neural networks. In this paper, we make one step towards addressing this gap, and propose a structure encoding module, called CycleNet, that encodes cycle information via edge structure encoding in a permutation invariant manner. To efficiently encode the space of all cycles, we start with a cycle basis (i.e., a minimal set of cycles generating the cycle space) which we compute via the kernel of the 1-dimensional Hodge Laplacian of the input graph. To guarantee the encoding is invariant w.r.t. the choice of cycle basis, we encode the cycle information via the orthogonal projector of the cycle basis, which is inspired by BasisNet proposed by Lim et al. We also develop a more efficient variant which however requires that the input graph has a unique shortest cycle basis. To demonstrate the effectiveness of the proposed module, we provide some theoretical understandings of its expressive power. Moreover, we show via a range of experiments that networks enhanced by our CycleNet module perform better in various benchmarks compared to several existing SOTA models.

In recent advancements in high-fidelity image generation, Denoising Diffusion Probabilistic Models (DDPMs) have emerged as a key player. However, their application at high resolutions presents significant computational challenges. Current methods, such as patchifying, expedite processes in UNet and Transformer architectures but at the expense of representational capacity. Addressing this, we introduce the Diffusion State Space Model (DiffuSSM), an architecture that supplants attention mechanisms with a more scalable state space model backbone. This approach effectively handles higher resolutions without resorting to global compression, thus preserving detailed image representation throughout the diffusion process. Our focus on FLOP-efficient architectures in diffusion training marks a significant step forward. Comprehensive evaluations on both ImageNet and LSUN datasets at two resolutions demonstrate that DiffuSSMs are on par or even outperform existing diffusion models with attention modules in FID and Inception Score metrics while significantly reducing total FLOP usage.

Prior works have shown that semi-supervised learning algorithms can leverage unlabeled data to improve over the labeled sample complexity of supervised learning (SL) algorithms. However, existing theoretical analyses focus on regimes where the unlabeled data is sufficient to learn a good decision boundary using unsupervised learning (UL) alone. This begs the question: Can SSL algorithms simultaneously improve upon both UL and SL? To this end, we derive a tight lower bound for 2-Gaussian mixture models that explicitly depends on the labeled and the unlabeled dataset size as well as the signal-to-noise ratio of the mixture distribution. Surprisingly, our result implies that no SSL algorithm can improve upon the minimax-optimal statistical error rates of SL or UL algorithms for these distributions. Nevertheless, we show empirically on real-world data that SSL algorithms can still outperform UL and SL methods. Therefore, our work suggests that, while proving performance gains for SSL algorithms is possible, it requires careful tracking of constants.

Optimally scheduling multi-energy flow is an effective method to utilize renewable energy sources (RES) and improve the stability and economy of integrated energy systems (IES). However, the stable demand-supply of IES faces challenges from uncertainties that arise from RES and loads, as well as the increasing impact of cyber-attacks with advanced information and communication technologies adoption. To address these challenges, this paper proposes an innovative model-free resilience scheduling method based on state-adversarial deep reinforcement learning (DRL) for integrated demand response (IDR)-enabled IES. The proposed method designs an IDR program to explore the interaction ability of electricity-gas-heat flexible loads. Additionally, a state-adversarial Markov decision process (SA-MDP) model characterizes the energy scheduling problem of IES under cyber-attack. The state-adversarial soft actor-critic (SA-SAC) algorithm is proposed to mitigate the impact of cyber-attacks on the scheduling strategy. Simulation results demonstrate that our method is capable of adequately addressing the uncertainties resulting from RES and loads, mitigating the impact of cyber-attacks on the scheduling strategy, and ensuring a stable demand supply for various energy sources. Moreover, the proposed method demonstrates resilience against cyber-attacks. Compared to the original soft actor-critic (SAC) algorithm, it achieves a 10\% improvement in economic performance under cyber-attack scenarios.

Interpretable policy learning seeks to estimate intelligible decision policies from observed actions; however, existing models fall short by forcing a tradeoff between accuracy and interpretability. This tradeoff limits data-driven interpretations of human decision-making process. e.g. to audit medical decisions for biases and suboptimal practices, we require models of decision processes which provide concise descriptions of complex behaviors. Fundamentally, existing approaches are burdened by this tradeoff because they represent the underlying decision process as a universal policy, when in fact human decisions are dynamic and can change drastically with contextual information. Thus, we propose Contextualized Policy Recovery (CPR), which re-frames the problem of modeling complex decision processes as a multi-task learning problem in which complex decision policies are comprised of context-specific policies. CPR models each context-specific policy as a linear observation-to-action mapping, and generates new decision models $\textit{on-demand}$ as contexts are updated with new observations. CPR is compatible with fully offline and partially observable decision environments, and can be tailored to incorporate any recurrent black-box model or interpretable decision model. We assess CPR through studies on simulated and real data, achieving state-of-the-art performance on the canonical tasks of predicting antibiotic prescription in intensive care units ($+22\%$ AUROC vs. previous SOTA) and predicting MRI prescription for Alzheimer's patients ($+7.7\%$ AUROC vs. previous SOTA). With this improvement in predictive performance, CPR closes the accuracy gap between interpretable and black-box methods for policy learning, allowing high-resolution exploration and analysis of context-specific decision models.

The advancements in generative modeling, particularly the advent of diffusion models, have sparked a fundamental question: how can these models be effectively used for discriminative tasks? In this work, we find that generative models can be great test-time adapters for discriminative models. Our method, Diffusion-TTA, adapts pre-trained discriminative models such as image classifiers, segmenters and depth predictors, to each unlabelled example in the test set using generative feedback from a diffusion model. We achieve this by modulating the conditioning of the diffusion model using the output of the discriminative model. We then maximize the image likelihood objective by backpropagating the gradients to discriminative model's parameters. We show Diffusion-TTA significantly enhances the accuracy of various large-scale pre-trained discriminative models, such as, ImageNet classifiers, CLIP models, image pixel labellers and image depth predictors. Diffusion-TTA outperforms existing test-time adaptation methods, including TTT-MAE and TENT, and particularly shines in online adaptation setups, where the discriminative model is continually adapted to each example in the test set. We provide access to code, results, and visualizations on our website: https://diffusion-tta.github.io/.

The paper proposes an artificial neural network (ANN) being a global approximator for a special class of functions, which are known as generalized homogeneous. The homogeneity means a symmetry of a function with respect to a group of transformations having topological characterization of a dilation. In this paper, a class of the so-called linear dilations is considered. A homogeneous universal approximation theorem is proven. Procedures for an upgrade of an existing ANN to a homogeneous one are developed. Theoretical results are supported by examples from the various domains (computer science, systems theory and automatic control).

Due to an alarming trend related to obesity affecting 93.3 million adults in the United States alone, body mass index (BMI) and body weight have drawn significant interest in various health monitoring applications. Consequently, several studies have proposed self-diagnostic facial image-based BMI prediction methods for healthy weight monitoring. These methods have mostly used convolutional neural network (CNN) based regression baselines, such as VGG19, ResNet50, and Efficient-NetB0, for BMI prediction from facial images. However, the high computational requirement of these heavy-weight CNN models limits their deployment to resource-constrained mobile devices, thus deterring weight monitoring using smartphones. This paper aims to develop a lightweight facial patch-based ensemble (PatchBMI-Net) for BMI prediction to facilitate the deployment and weight monitoring using smartphones. Extensive experiments on BMI-annotated facial image datasets suggest that our proposed PatchBMI-Net model can obtain Mean Absolute Error (MAE) in the range [3.58, 6.51] with a size of about 3.3 million parameters. On cross-comparison with heavyweight models, such as ResNet-50 and Xception, trained for BMI prediction from facial images, our proposed PatchBMI-Net obtains equivalent MAE along with the model size reduction of about 5.4x and the average inference time reduction of about 3x when deployed on Apple-14 smartphone. Thus, demonstrating performance efficiency as well as low latency for on-device deployment and weight monitoring using smartphone applications.

Precisely predicting the future trajectories of surrounding traffic participants is a crucial but challenging problem in autonomous driving, due to complex interactions between traffic agents, map context and traffic rules. Vector-based approaches have recently shown to achieve among the best performances on trajectory prediction benchmarks. These methods model simple interactions between traffic agents but don't distinguish between relation-type and attributes like their distance along the road. Furthermore, they represent lanes only by sequences of vectors representing center lines and ignore context information like lane dividers and other road elements. We present a novel approach for vector-based trajectory prediction that addresses these shortcomings by leveraging three crucial sources of information: First, we model interactions between traffic agents by a semantic scene graph, that accounts for the nature and important features of their relation. Second, we extract agent-centric image-based map features to model the local map context. Finally, we generate anchor paths to enforce the policy in multi-modal prediction to permitted trajectories only. Each of these three enhancements shows advantages over the baseline model HoliGraph.

Dynamic Sparse Training (DST) is a rapidly evolving area of research that seeks to optimize the sparse initialization of a neural network by adapting its topology during training. It has been shown that under specific conditions, DST is able to outperform dense models. The key components of this framework are the pruning and growing criteria, which are repeatedly applied during the training process to adjust the network's sparse connectivity. While the growing criterion's impact on DST performance is relatively well studied, the influence of the pruning criterion remains overlooked. To address this issue, we design and perform an extensive empirical analysis of various pruning criteria to better understand their impact on the dynamics of DST solutions. Surprisingly, we find that most of the studied methods yield similar results. The differences become more significant in the low-density regime, where the best performance is predominantly given by the simplest technique: magnitude-based pruning. The code is provided at https://github.com/alooow/fantastic_weights_paper

Large Language Models (LLMs) have demonstrated remarkable versatility across various domains. To further advance LLMs, we propose 'SELF' (Self-Evolution with Language Feedback), a novel approach that enables LLMs to self-improve through self-reflection, akin to human learning processes. SELF initiates with a meta-skill learning process that equips the LLMs with capabilities for self-feedback and self-refinement. Subsequently, the model undergoes an iterative process of self-evolution. In each iteration, it utilizes an unlabeled dataset of instructions to generate initial responses. These responses are enhanced through self-feedback and self-refinement. The model is then fine-tuned using this enhanced data. The model undergoes progressive improvement through this iterative self-evolution process. Moreover, the SELF framework enables the model to apply self-refinement during inference, which further improves response quality. Our experiments in mathematics and general tasks demonstrate that SELF can enhance the capabilities of LLMs without human intervention. The SELF framework indicates a promising direction for the autonomous evolution of LLMs, transitioning them from passive information receivers to active participants in their development.

The variational lower bound (a.k.a. ELBO or free energy) is the central objective for many established as well as many novel algorithms for unsupervised learning. Learning algorithms change model parameters such that the variational lower bound increases. Learning usually proceeds until parameters have converged to values close to a stationary point of the learning dynamics. In this purely theoretical contribution, we show that (for a very large class of generative models) the variational lower bound is at all stationary points of learning equal to a sum of entropies. For standard machine learning models with one set of latents and one set observed variables, the sum consists of three entropies: (A) the (average) entropy of the variational distributions, (B) the negative entropy of the model's prior distribution, and (C) the (expected) negative entropy of the observable distributions. The obtained result applies under realistic conditions including: finite numbers of data points, at any stationary points (including saddle points) and for any family of (well behaved) variational distributions. The class of generative models for which we show the equality to entropy sums contains many well-known generative models. As concrete examples we discuss Sigmoid Belief Networks, probabilistic PCA and (Gaussian and non-Gaussian) mixture models. The results also apply for standard (Gaussian) variational autoencoders, which has been shown in parallel (Damm et al., 2023). The prerequisites we use to show equality to entropy sums are relatively mild. Concretely, the distributions of a given generative model have to be of the exponential family (with constant base measure), and the model has to satisfy a parameterization criterion (which is usually fulfilled). Proving the equality of the ELBO to entropy sums at stationary points (under the stated conditions) is the main contribution of this work.

In many practical control applications, the performance level of a closed-loop system degrades over time due to the change of plant characteristics. Thus, there is a strong need for redesigning a controller without going through the system modeling process, which is often difficult for closed-loop systems. Reinforcement learning (RL) is one of the promising approaches that enable model-free redesign of optimal controllers for nonlinear dynamical systems based only on the measurement of the closed-loop system. However, the learning process of RL usually requires a considerable number of trial-and-error experiments using the poorly controlled system that may accumulate wear on the plant. To overcome this limitation, we propose a model-free two-step design approach that improves the transient learning performance of RL in an optimal regulator redesign problem for unknown nonlinear systems. Specifically, we first design a linear control law that attains some degree of control performance in a model-free manner, and then, train the nonlinear optimal control law with online RL by using the designed linear control law in parallel. We introduce an offline RL algorithm for the design of the linear control law and theoretically guarantee its convergence to the LQR controller under mild assumptions. Numerical simulations show that the proposed approach improves the transient learning performance and efficiency in hyperparameter tuning of RL.

Online active learning is a paradigm in machine learning that aims to select the most informative data points to label from a data stream. The problem of minimizing the cost associated with collecting labeled observations has gained a lot of attention in recent years, particularly in real-world applications where data is only available in an unlabeled form. Annotating each observation can be time-consuming and costly, making it difficult to obtain large amounts of labeled data. To overcome this issue, many active learning strategies have been proposed in the last decades, aiming to select the most informative observations for labeling in order to improve the performance of machine learning models. These approaches can be broadly divided into two categories: static pool-based and stream-based active learning. Pool-based active learning involves selecting a subset of observations from a closed pool of unlabeled data, and it has been the focus of many surveys and literature reviews. However, the growing availability of data streams has led to an increase in the number of approaches that focus on online active learning, which involves continuously selecting and labeling observations as they arrive in a stream. This work aims to provide an overview of the most recently proposed approaches for selecting the most informative observations from data streams in real time. We review the various techniques that have been proposed and discuss their strengths and limitations, as well as the challenges and opportunities that exist in this area of research.

The remarkable growth and significant success of machine learning have expanded its applications into programming languages and program analysis. However, a key challenge in adopting the latest machine learning methods is the representation of programming languages, which directly impacts the ability of machine learning methods to reason about programs. The absence of numerical awareness, aggregate data structure information, and improper way of presenting variables in previous representation works have limited their performances. To overcome the limitations and challenges of current program representations, we propose a graph-based program representation called PERFOGRAPH. PERFOGRAPH can capture numerical information and the aggregate data structure by introducing new nodes and edges. Furthermore, we propose an adapted embedding method to incorporate numerical awareness. These enhancements make PERFOGRAPH a highly flexible and scalable representation that effectively captures programs intricate dependencies and semantics. Consequently, it serves as a powerful tool for various applications such as program analysis, performance optimization, and parallelism discovery. Our experimental results demonstrate that PERFOGRAPH outperforms existing representations and sets new state-of-the-art results by reducing the error rate by 7.4% (AMD dataset) and 10% (NVIDIA dataset) in the well-known Device Mapping challenge. It also sets new state-of-the-art results in various performance optimization tasks like Parallelism Discovery and NUMA and Prefetchers Configuration prediction.

Graph auto-encoders are widely used to construct graph representations in Euclidean vector spaces. However, it has already been pointed out empirically that linear models on many tasks can outperform graph auto-encoders. In our work, we prove that the solution space induced by graph auto-encoders is a subset of the solution space of a linear map. This demonstrates that linear embedding models have at least the representational power of graph auto-encoders based on graph convolutional networks. So why are we still using nonlinear graph auto-encoders? One reason could be that actively restricting the linear solution space might introduce an inductive bias that helps improve learning and generalization. While many researchers believe that the nonlinearity of the encoder is the critical ingredient towards this end, we instead identify the node features of the graph as a more powerful inductive bias. We give theoretical insights by introducing a corresponding bias in a linear model and analyzing the change in the solution space. Our experiments are aligned with other empirical work on this question and show that the linear encoder can outperform the nonlinear encoder when using feature information.

Large Language Models (LLMs), with their remarkable task-handling capabilities and innovative outputs, have catalyzed significant advancements across a spectrum of fields. However, their proficiency within specialized domains such as biomolecular studies remains limited. To address this challenge, we introduce Mol-Instructions, a comprehensive instruction dataset designed for the biomolecular domain. Mol-Instructions encompasses three key components: molecule-oriented instructions, protein-oriented instructions, and biomolecular text instructions. Each component aims to improve the understanding and prediction capabilities of LLMs concerning biomolecular features and behaviors. Through extensive instruction tuning experiments on LLMs, we demonstrate the effectiveness of Mol-Instructions in enhancing large models' performance in the intricate realm of biomolecular studies, thus fostering progress in the biomolecular research community. Mol-Instructions is publicly available for ongoing research and will undergo regular updates to enhance its applicability.

Visual quality measures (VQMs) are designed to support analysts by automatically detecting and quantifying patterns in visualizations. We propose a new VQM for visual grouping patterns in scatterplots, called ClustML, which is trained on previously collected human subject judgments. Our model encodes scatterplots in the parametric space of a Gaussian Mixture Model and uses a classifier trained on human judgment data to estimate the perceptual complexity of grouping patterns. The numbers of initial mixture components and final combined groups. It improves on existing VQMs, first, by better estimating human judgments on two-Gaussian cluster patterns and, second, by giving higher accuracy when ranking general cluster patterns in scatterplots. We use it to analyze kinship data for genome-wide association studies, in which experts rely on the visual analysis of large sets of scatterplots. We make the benchmark datasets and the new VQM available for practical use and further improvements.

In many practical computer vision scenarios unlabeled data is plentiful, but labels are scarce and difficult to obtain. As a result, semi-supervised learning which leverages unlabeled data to boost the performance of supervised classifiers have received significant attention in recent literature. One major class of semi-supervised algorithms is co-training. In co-training two different models leverage different independent and sufficient "views" of the data to jointly make better predictions. During co-training each model creates pseudo labels on unlabeled points which are used to improve the other model. We show that in the common case when independent views are not available we can construct such views inexpensively using pre-trained models. Co-training on the constructed views yields a performance improvement over any of the individual views we construct and performance comparable with recent approaches in semi-supervised learning, but has some undesirable properties. To alleviate the issues present with co-training we present Meta Co-Training which is an extension of the successful Meta Pseudo Labels approach to multiple views. Our method achieves new state-of-the-art performance on ImageNet-10% with very few training resources, as well as outperforming prior semi-supervised work on several other fine-grained image classification datasets.

State-of-the-art single-view 360-degree room layout reconstruction methods formulate the problem as a high-level 1D (per-column) regression task. On the other hand, traditional low-level 2D layout segmentation is simpler to learn and can represent occluded regions, but it requires complex post-processing for the targeting layout polygon and sacrifices accuracy. We present Seg2Reg to render 1D layout depth regression from the 2D segmentation map in a differentiable and occlusion-aware way, marrying the merits of both sides. Specifically, our model predicts floor-plan density for the input equirectangular 360-degree image. Formulating the 2D layout representation as a density field enables us to employ `flattened' volume rendering to form 1D layout depth regression. In addition, we propose a novel 3D warping augmentation on layout to improve generalization. Finally, we re-implement recent room layout reconstruction methods into our codebase for benchmarking and explore modern backbones and training techniques to serve as the strong baseline. Our model significantly outperforms previous arts. The code will be made available upon publication.

Deep neural networks have become a foundational tool for addressing imaging inverse problems. They are typically trained for a specific task, with a supervised loss to learn a mapping from the observations to the image to recover. However, real-world imaging challenges often lack ground truth data, rendering traditional supervised approaches ineffective. Moreover, for each new imaging task, a new model needs to be trained from scratch, wasting time and resources. To overcome these limitations, we introduce a novel approach based on meta-learning. Our method trains a meta-model on a diverse set of imaging tasks that allows the model to be efficiently fine-tuned for specific tasks with few fine-tuning steps. We show that the proposed method extends to the unsupervised setting, where no ground truth data is available. In its bilevel formulation, the outer level uses a supervised loss, that evaluates how well the fine-tuned model performs, while the inner loss can be either supervised or unsupervised, relying only on the measurement operator. This allows the meta-model to leverage a few ground truth samples for each task while being able to generalize to new imaging tasks. We show that in simple settings, this approach recovers the Bayes optimal estimator, illustrating the soundness of our approach. We also demonstrate our method's effectiveness on various tasks, including image processing and magnetic resonance imaging.

We propose a representation of optimization problem instances using a transformer-based neural network architecture trained for the task of problem classification of the 24 problem classes from the Black-box Optimization Benchmarking (BBOB) benchmark. We show that transformer-based methods can be trained to recognize problem classes with accuracies in the range of 70\%-80\% for different problem dimensions, suggesting the possible application of transformer architectures in acquiring representations for black-box optimization problems.

This study addresses the issue of balancing graph summarization and graph change detection. Graph summarization compresses large-scale graphs into a smaller scale. However, the question remains: To what extent should the original graph be compressed? This problem is solved from the perspective of graph change detection, aiming to detect statistically significant changes using a stream of summary graphs. If the compression rate is extremely high, important changes can be ignored, whereas if the compression rate is extremely low, false alarms may increase with more memory. This implies that there is a trade-off between compression rate in graph summarization and accuracy in change detection. We propose a novel quantitative methodology to balance this trade-off to simultaneously realize reliable graph summarization and change detection. We introduce a probabilistic structure of hierarchical latent variable model into a graph, thereby designing a parameterized summary graph on the basis of the minimum description length principle. The parameter specifying the summary graph is then optimized so that the accuracy of change detection is guaranteed to suppress Type I error probability (probability of raising false alarms) to be less than a given confidence level. First, we provide a theoretical framework for connecting graph summarization with change detection. Then, we empirically demonstrate its effectiveness on synthetic and real datasets.

This paper introduces Precipitation Attention-based U-Net (PAUNet), a deep learning architecture for predicting precipitation from satellite radiance data, addressing the challenges of the Weather4cast 2023 competition. PAUNet is a variant of U-Net and Res-Net, designed to effectively capture the large-scale contextual information of multi-band satellite images in visible, water vapor, and infrared bands through encoder convolutional layers with center cropping and attention mechanisms. We built upon the Focal Precipitation Loss including an exponential component (e-FPL), which further enhanced the importance across different precipitation categories, particularly medium and heavy rain. Trained on a substantial dataset from various European regions, PAUNet demonstrates notable accuracy with a higher Critical Success Index (CSI) score than the baseline model in predicting rainfall over multiple time slots. PAUNet's architecture and training methodology showcase improvements in precipitation forecasting, crucial for sectors like emergency services and retail and supply chain management.

To provide real-time parking information, existing studies focus on predicting parking availability, which seems an indirect approach to saving drivers' cruising time. In this paper, we first time propose an on-street parking recommendation (OPR) task to directly recommend a parking space for a driver. To this end, a learn-to-rank (LTR) based OPR model called OPR-LTR is built. Specifically, parking recommendation is closely related to the "turnover events" (state switching between occupied and vacant) of each parking space, and hence we design a highly efficient heterogeneous graph called ESGraph to represent historical and real-time meters' turnover events as well as geographical relations; afterward, a convolution-based event-then-graph network is used to aggregate and update representations of the heterogeneous graph. A ranking model is further utilized to learn a score function that helps recommend a list of ranked parking spots for a specific on-street parking query. The method is verified using the on-street parking meter data in Hong Kong and San Francisco. By comparing with the other two types of methods: prediction-only and prediction-then-recommendation, the proposed direct-recommendation method achieves satisfactory performance in different metrics. Extensive experiments also demonstrate that the proposed ESGraph and the recommendation model are more efficient in terms of computational efficiency as well as saving drivers' on-street parking time.

Machine learning algorithms are heavily relied on to understand the vast amounts of data from high-energy particle collisions at the CERN Large Hadron Collider (LHC). The data from such collision events can naturally be represented with graph structures. Therefore, deep geometric methods, such as graph neural networks (GNNs), have been leveraged for various data analysis tasks in high-energy physics. One typical task is jet tagging, where jets are viewed as point clouds with distinct features and edge connections between their constituent particles. The increasing size and complexity of the LHC particle datasets, as well as the computational models used for their analysis, greatly motivate the development of alternative fast and efficient computational paradigms such as quantum computation. In addition, to enhance the validity and robustness of deep networks, one can leverage the fundamental symmetries present in the data through the use of invariant inputs and equivariant layers. In this paper, we perform a fair and comprehensive comparison between classical graph neural networks (GNNs) and equivariant graph neural networks (EGNNs) and their quantum counterparts: quantum graph neural networks (QGNNs) and equivariant quantum graph neural networks (EQGNN). The four architectures were benchmarked on a binary classification task to classify the parton-level particle initiating the jet. Based on their AUC scores, the quantum networks were shown to outperform the classical networks. However, seeing the computational advantage of the quantum networks in practice may have to wait for the further development of quantum technology and its associated APIs.

From the social sciences to machine learning, it has been well documented that metrics to be optimized are not always aligned with social welfare. In healthcare, Dranove et al. (2003) showed that publishing surgery mortality metrics actually harmed the welfare of sicker patients by increasing provider selection behavior. We analyze the incentive misalignments that arise from such average treated outcome metrics, and show that the incentives driving treatment decisions would align with maximizing total patient welfare if the metrics (i) accounted for counterfactual untreated outcomes and (ii) considered total welfare instead of averaging over treated patients. Operationalizing this, we show how counterfactual metrics can be modified to behave reasonably in patient-facing ranking systems. Extending to realistic settings when providers observe more about patients than the regulatory agencies do, we bound the decay in performance by the degree of information asymmetry between principal and agent. In doing so, our model connects principal-agent information asymmetry with unobserved heterogeneity in causal inference.

In the field of media production, video editing techniques play a pivotal role. Recent approaches have had great success at performing novel view image synthesis of static scenes. But adding temporal information adds an extra layer of complexity. Previous models have focused on implicitly representing static and dynamic scenes using NeRF. These models achieve impressive results but are costly at training and inference time. They overfit an MLP to describe the scene implicitly as a function of position. This paper proposes ZeST-NeRF, a new approach that can produce temporal NeRFs for new scenes without retraining. We can accurately reconstruct novel views using multi-view synthesis techniques and scene flow-field estimation, trained only with unrelated scenes. We demonstrate how existing state-of-the-art approaches from a range of fields cannot adequately solve this new task and demonstrate the efficacy of our solution. The resulting network improves quantitatively by 15% and produces significantly better visual results.

Optimising deep neural networks is a challenging task due to complex training dynamics, high computational requirements, and long training times. To address this difficulty, we propose the framework of Generalisable Agents for Neural Network Optimisation (GANNO) -- a multi-agent reinforcement learning (MARL) approach that learns to improve neural network optimisation by dynamically and responsively scheduling hyperparameters during training. GANNO utilises an agent per layer that observes localised network dynamics and accordingly takes actions to adjust these dynamics at a layerwise level to collectively improve global performance. In this paper, we use GANNO to control the layerwise learning rate and show that the framework can yield useful and responsive schedules that are competitive with handcrafted heuristics. Furthermore, GANNO is shown to perform robustly across a wide variety of unseen initial conditions, and can successfully generalise to harder problems than it was trained on. Our work presents an overview of the opportunities that this paradigm offers for training neural networks, along with key challenges that remain to be overcome.

Ray tracing (RT) is instrumental in 6G research in order to generate spatially-consistent and environment-specific channel impulse responses (CIRs). While acquiring accurate scene geometries is now relatively straightforward, determining material characteristics requires precise calibration using channel measurements. We therefore introduce a novel gradient-based calibration method, complemented by differentiable parametrizations of material properties, scattering and antenna patterns. Our method seamlessly integrates with differentiable ray tracers that enable the computation of derivatives of CIRs with respect to these parameters. Essentially, we approach field computation as a large computational graph wherein parameters are trainable akin to weights of a neural network (NN). We have validated our method using both synthetic data and real-world indoor channel measurements, employing a distributed multiple-input multiple-output (MIMO) channel sounder.

Federated Learning (FL) is the state-of-the-art approach for learning from decentralized data in privacy-constrained scenarios. As the current literature reports, the main problems associated with FL refer to system and statistical challenges: the former ones demand for efficient learning from edge devices, including lowering communication bandwidth and frequency, while the latter require algorithms robust to non-iidness. State-of-art approaches either guarantee convergence at increased communication cost or are not sufficiently robust to handle extreme heterogeneous local distributions. In this work we propose a novel generalization of the heavy-ball momentum, and present FedHBM to effectively address statistical heterogeneity in FL without introducing any communication overhead. We conduct extensive experimentation on common FL vision and NLP datasets, showing that our FedHBM algorithm empirically yields better model quality and higher convergence speed w.r.t. the state-of-art, especially in pathological non-iid scenarios. While being designed for cross-silo settings, we show how FedHBM is applicable in moderate-to-high cross-device scenarios, and how good model initializations (e.g. pre-training) can be exploited for prompt acceleration. Extended experimentation on large-scale real-world federated datasets further corroborates the effectiveness of our approach for real-world FL applications.

Modern astronomical experiments are designed to achieve multiple scientific goals, from studies of galaxy evolution to cosmic acceleration. These goals require data of many different classes of night-sky objects, each of which has a particular set of observational needs. These observational needs are typically in strong competition with one another. This poses a challenging multi-objective optimization problem that remains unsolved. The effectiveness of Reinforcement Learning (RL) as a valuable paradigm for training autonomous systems has been well-demonstrated, and it may provide the basis for self-driving telescopes capable of optimizing the scheduling for astronomy campaigns. Simulated datasets containing examples of interactions between a telescope and a discrete set of sky locations on the celestial sphere can be used to train an RL model to sequentially gather data from these several locations to maximize a cumulative reward as a measure of the quality of the data gathered. We use simulated data to test and compare multiple implementations of a Deep Q-Network (DQN) for the task of optimizing the schedule of observations from the Stone Edge Observatory (SEO). We combine multiple improvements on the DQN and adjustments to the dataset, showing that DQNs can achieve an average reward of 87%+-6% of the maximum achievable reward in each state on the test set. This is the first comparison of offline RL algorithms for a particular astronomical challenge and the first open-source framework for performing such a comparison and assessment task.

Recent advancements in deep learning have propelled the field of weather prediction models to new heights. Despite their progress, these models often struggle with real-world application due to their sensitivity to spatial-temporal shifts, a vulnerability particularly pronounced in weather prediction tasks where overfitting to local and temporal variations is common. This paper presents an investigation into the development of a robust precipitation forecasting model that stands resilient to such shifts. We introduce Temporal Frame Interpolation (TFI), an innovative technique designed to fortify forecasting models against spatial-temporal discrepancies. TFI operates by generating synthetic samples through the interpolation of adjacent frames from satellite imagery and ground radar data, thereby enriching the training dataset and bolstering the model's defense against noise on frames. Additionally, we integrate a novel multi-level dice loss, which exploits the ordinal nature of rainfall intensities to further refine model performance. These methodologies have collectively advanced our model's forecasting precision, achieving \textit{1st place} on the transfer learning leaderboard in the \textit{Weather4Cast'23 competition}.It not only demonstrates the efficacy of our approaches but also sets a new benchmark for deep learning applications in meteorological forecasting. Our code and weights have been public on \url{https://github.com/Secilia-Cxy/UNetTFI}.

Hyperdimensional computing (HDC) has become popular for light-weight and energy-efficient machine learning, suitable for wearable Internet-of-Things (IoT) devices and near-sensor or on-device processing. HDC is computationally less complex than traditional deep learning algorithms and achieves moderate to good classification performance. This article proposes to extend the training procedure in HDC by taking into account not only wrongly classified samples, but also samples that are correctly classified by the HDC model but with low confidence. As such, a confidence threshold is introduced that can be tuned for each dataset to achieve the best classification accuracy. The proposed training procedure is tested on UCIHAR, CTG, ISOLET and HAND dataset for which the performance consistently improves compared to the baseline across a range of confidence threshold values. The extended training procedure also results in a shift towards higher confidence values of the correctly classified samples making the classifier not only more accurate but also more confident about its predictions.

This work introduces a general code generation framework that incorporates infilling operations into auto-regressive decoding. Our approach capitalizes on the observation that recent code language models with infilling capabilities can perform \emph{self-infilling}: whereas infilling operations aim to fill in the middle based on a predefined prefix and suffix, self-infilling sequentially generates both such surrounding context and the infilled content. We utilize this feature to develop an infilling-augmented decoding process that facilitates non-monotonic generation. This approach allows for postponing the generation of uncertain code snippets until a definitive suffix is established, leading to improved control over the generation sequence. In addition, it facilitates a looping mechanism, which can iteratively update and synchronize each piece of generation in a cyclic manner. Extensive experiments are conducted to demonstrate that our proposed decoding process is effective in enhancing regularity and quality across several code generation benchmarks.

Security-Constrained Optimal Power Flow (SCOPF) plays a crucial role in power grid stability but becomes increasingly complex as systems grow. This paper introduces PDL-SCOPF, a self-supervised end-to-end primal-dual learning framework for producing near-optimal solutions to large-scale SCOPF problems in milliseconds. Indeed, PDL-SCOPF remedies the limitations of supervised counterparts that rely on training instances with their optimal solutions, which becomes impractical for large-scale SCOPF problems. PDL-SCOPF mimics an Augmented Lagrangian Method (ALM) for training primal and dual networks that learn the primal solutions and the Lagrangian multipliers, respectively, to the unconstrained optimizations. In addition, PDL-SCOPF incorporates a repair layer to ensure the feasibility of the power balance in the nominal case, and a binary search layer to compute, using the Automatic Primary Response (APR), the generator dispatches in the contingencies. The resulting differentiable program can then be trained end-to-end using the objective function of the SCOPF and the power balance constraints of the contingencies. Experimental results demonstrate that the PDL-SCOPF delivers accurate feasible solutions with minimal optimality gaps. The framework underlying PDL-SCOPF aims at bridging the gap between traditional optimization methods and machine learning, highlighting the potential of self-supervised end-to-end primal-dual learning for large-scale optimization tasks.

By reusing data throughout training, off-policy deep reinforcement learning algorithms offer improved sample efficiency relative to on-policy approaches. For continuous action spaces, the most popular methods for off-policy learning include policy improvement steps where a learned state-action ($Q$) value function is maximized over selected batches of data. These updates are often paired with regularization to combat associated overestimation of $Q$ values. With an eye toward safety, we revisit this strategy in environments with "mixed-sign" reward functions; that is, with reward functions that include independent positive (incentive) and negative (cost) terms. This setting is common in real-world applications, and may be addressed with or without constraints on the cost terms. We find the combination of function approximation and a term that maximizes $Q$ in the policy update to be problematic in such environments, because systematic errors in value estimation impact the contributions from the competing terms asymmetrically. This results in overemphasis of either incentives or costs and may severely limit learning. We explore two remedies to this issue. First, consistent with prior work, we find that periodic resetting of $Q$ and policy networks can be used to reduce value estimation error and improve learning in this setting. Second, we formulate novel off-policy actor-critic methods for both unconstrained and constrained learning that do not explicitly maximize $Q$ in the policy update. We find that this second approach, when applied to continuous action spaces with mixed-sign rewards, consistently and significantly outperforms state-of-the-art methods augmented by resetting. We further find that our approach produces agents that are both competitive with popular methods overall and more reliably competent on frequently-studied control problems that do not have mixed-sign rewards.

The surge in real-time data collection across various industries has underscored the need for advanced anomaly detection in both univariate and multivariate time series data. Traditional methods, while comprehensive, often struggle to capture the complex interdependencies in such data. This paper introduces TransNAS-TSAD, a novel framework that synergizes transformer architecture with neural architecture search (NAS), enhanced through NSGA-II algorithm optimization. This innovative approach effectively tackles the complexities of both univariate and multivariate time series, balancing computational efficiency with detection accuracy. Our evaluation reveals that TransNAS-TSAD surpasses conventional anomaly detection models, demonstrating marked improvements in diverse data scenarios. We also propose the Efficiency-Accuracy-Complexity Score (EACS) as a new metric for assessing model performance, emphasizing the crucial balance between accuracy and computational resources. TransNAS-TSAD sets a new benchmark in time series anomaly detection, offering a versatile, efficient solution for complex real-world applications. This research paves the way for future developments in the field, highlighting its potential in a wide range of industry applications.

Detection of rolling-element bearing faults is crucial for implementing proactive maintenance strategies and for minimizing the economic and operational consequences of unexpected failures. However, many existing techniques are developed and tested under strictly controlled conditions, limiting their adaptability to the diverse and dynamic settings encountered in practical applications. This paper presents an efficient real-time convolutional neural network (CNN) for diagnosing multiple bearing faults under various noise levels and time-varying rotational speeds. Additionally, we propose a novel Fisher-based spectral separability analysis (SSA) method to elucidate the effectiveness of the designed CNN model. We conducted experiments on both healthy bearings and bearings afflicted with inner race, outer race, and roller ball faults. The experimental results show the superiority of our model over the current state-of-the-art approach in three folds: it achieves substantial accuracy gains of up to 15.8%, it is robust to noise with high performance across various signal-to-noise ratios, and it runs in real-time with processing durations five times less than acquisition. Additionally, by using the proposed SSA technique, we offer insights into the model's performance and underscore its effectiveness in tackling real-world challenges.

Advanced vehicle control is a fundamental building block in the development of autonomous driving systems. Reinforcement learning (RL) promises to achieve control performance superior to classical approaches while keeping computational demands low during deployment. However, standard RL approaches like soft-actor critic (SAC) require extensive amounts of training data to be collected and are thus impractical for real-world application. To address this issue, we apply recently developed data-efficient deep RL methods to vehicle trajectory control. Our investigation focuses on three methods, so far unexplored for vehicle control: randomized ensemble double Q-learning (REDQ), probabilistic ensembles with trajectory sampling and model predictive path integral optimizer (PETS-MPPI), and model-based policy optimization (MBPO). We find that in the case of trajectory control, the standard model-based RL formulation used in approaches like PETS-MPPI and MBPO is not suitable. We, therefore, propose a new formulation that splits dynamics prediction and vehicle localization. Our benchmark study on the CARLA simulator reveals that the three identified data-efficient deep RL approaches learn control strategies on a par with or better than SAC, yet reduce the required number of environment interactions by more than one order of magnitude.

This paper presents a solution to the Weather4Cast 2023 competition, where the goal is to forecast high-resolution precipitation with an 8-hour lead time using lower-resolution satellite radiance images. We propose a simple, yet effective method for spatiotemporal feature learning using a 2D U-Net model, that outperforms the official 3D U-Net baseline in both performance and efficiency. We place emphasis on refining the dataset, through importance sampling and dataset preparation, and show that such techniques have a significant impact on performance. We further study an alternative cross-entropy loss function that improves performance over the standard mean squared error loss, while also enabling models to produce probabilistic outputs. Additional techniques are explored regarding the generation of predictions at different lead times, specifically through Conditioning Lead Time. Lastly, to generate high-resolution forecasts, we evaluate standard and learned upsampling methods. The code and trained parameters are available at https://github.com/rafapablos/w4c23-rainai.

Large Vision Foundation Models (VFMs) pretrained on massive datasets exhibit impressive performance on various downstream tasks, especially with limited labeled target data. However, due to their high memory and compute requirements, these models cannot be deployed in resource constrained settings. This raises an important question: How can we utilize the knowledge from a large VFM to train a small task-specific model for a new target task with limited labeled training data? In this work, we answer this question by proposing a simple and highly effective task-oriented knowledge transfer approach to leverage pretrained VFMs for effective training of small task-specific models. Our experimental results on four target tasks under limited labeled data settings show that the proposed knowledge transfer approach outperforms task-agnostic VFM distillation, web-scale CLIP pretraining and supervised ImageNet pretraining by 1-10.5%, 2-22% and 2-14%, respectively. We also show that the dataset used for transferring knowledge has a significant effect on the final target task performance, and propose an image retrieval-based approach for curating effective transfer sets.

In this paper, we investigate how to push the performance limits of serving Deep Neural Network (DNN) models on CPU-based servers. Specifically, we observe that while intra-operator parallelism across multiple threads is an effective way to reduce inference latency, it provides diminishing returns. Our primary insight is that instead of running a single instance of a model with all available threads on a server, running multiple instances each with smaller batch sizes and fewer threads for intra-op parallelism can provide lower inference latency. However, the right configuration is hard to determine manually since it is workload- (DNN model and batch size used by the serving system) and deployment-dependent (number of CPU cores on server). We present Packrat, a new serving system for online inference that given a model and batch size ($B$) algorithmically picks the optimal number of instances ($i$), the number of threads each should be allocated ($t$), and the batch sizes each should operate on ($b$) that minimizes latency. Packrat is built as an extension to TorchServe and supports online reconfigurations to avoid serving downtime. Averaged across a range of batch sizes, Packrat improves inference latency by 1.43$\times$ to 1.83$\times$ on a range of commonly used DNNs.

Providing a promising pathway to link the human brain with external devices, Brain-Computer Interfaces (BCIs) have seen notable advancements in decoding capabilities, primarily driven by increasingly sophisticated techniques, especially deep learning. However, achieving high accuracy in real-world scenarios remains a challenge due to the distribution shift between sessions and subjects. In this paper we will explore the concept of online test-time adaptation (OTTA) to continuously adapt the model in an unsupervised fashion during inference time. Our approach guarantees the preservation of privacy by eliminating the requirement to access the source data during the adaptation process. Additionally, OTTA achieves calibration-free operation by not requiring any session- or subject-specific data. We will investigate the task of electroencephalography (EEG) motor imagery decoding using a lightweight architecture together with different OTTA techniques like alignment, adaptive batch normalization, and entropy minimization. We examine two datasets and three distinct data settings for a comprehensive analysis. Our adaptation methods produce state-of-the-art results, potentially instigating a shift in transfer learning for BCI decoding towards online adaptation.

Compiling large datasets from published resources, such as archaeological find catalogues presents fundamental challenges: identifying relevant content and manually recording it is a time-consuming, repetitive and error-prone task. For the data to be useful, it must be of comparable quality and adhere to the same recording standards, which is hardly ever the case in archaeology. Here, we present a new data collection method exploiting recent advances in Artificial Intelligence. Our software uses an object detection neural network combined with further classification networks to speed up, automate, and standardise data collection from legacy resources, such as archaeological drawings and photographs in large unsorted PDF files. The AI-assisted workflow detects common objects found in archaeological catalogues, such as graves, skeletons, ceramics, ornaments, stone tools and maps, and spatially relates and analyses these objects on the page to extract real-life attributes, such as the size and orientation of a grave based on the north arrow and the scale. A graphical interface allows for and assists with manual validation. We demonstrate the benefits of this approach by collecting a range of shapes and numerical attributes from richly-illustrated archaeological catalogues, and benchmark it in a real-world experiment with ten users. Moreover, we record geometric whole-outlines through contour detection, an alternative to landmark-based geometric morphometrics not achievable by hand.

In many applications, Neural Nets (NNs) have classification performance on par or even exceeding human capacity. Moreover, it is likely that NNs leverage underlying features that might differ from those humans perceive to classify. Can we "reverse-engineer" pertinent features to enhance our scientific understanding? Here, we apply this idea to the notoriously difficult task of galaxy classification: NNs have reached high performance for this task, but what does a neural net (NN) "see" when it classifies galaxies? Are there morphological features that the human eye might overlook that could help with the task and provide new insights? Can we visualize tracers of early evolution, or additionally incorporated spectral data? We present a novel way to summarize and visualize galaxy morphology through the lens of neural networks, leveraging Dataset Distillation, a recent deep-learning methodology with the primary objective to distill knowledge from a large dataset and condense it into a compact synthetic dataset, such that a model trained on this synthetic dataset achieves performance comparable to a model trained on the full dataset. We curate a class-balanced, medium-size high-confidence version of the Galaxy Zoo 2 dataset, and proceed with dataset distillation from our accurate NN-classifier to create synthesized prototypical images of galaxy morphological features, demonstrating its effectiveness. Of independent interest, we introduce a self-adaptive version of the state-of-the-art Matching Trajectory algorithm to automate the distillation process, and show enhanced performance on computer vision benchmarks.

Intelligent agents such as robots are increasingly deployed in real-world, safety-critical settings. It is vital that these agents are able to explain the reasoning behind their decisions to human counterparts; however, their behavior is often produced by uninterpretable models such as deep neural networks. We propose an approach to generate natural language explanations for an agent's behavior based only on observations of states and actions, thus making our method independent from the underlying model's representation. For such models, we first learn a behavior representation and subsequently use it to produce plausible explanations with minimal hallucination while affording user interaction with a pre-trained large language model. We evaluate our method in a multi-agent search-and-rescue environment and demonstrate the effectiveness of our explanations for agents executing various behaviors. Through user studies and empirical experiments, we show that our approach generates explanations as helpful as those produced by a human domain expert while enabling beneficial interactions such as clarification and counterfactual queries.

Dataset distillation (DD) offers a compelling approach in computer vision, with the goal of condensing extensive datasets into smaller synthetic versions without sacrificing much of the model performance. In this paper, we continue to study the methods for DD, by addressing its conceptually core objective: how to capture the essential representation of extensive datasets in smaller, synthetic forms. We propose a novel approach utilizing the Wasserstein distance, a metric rooted in optimal transport theory, to enhance distribution matching in DD. Our method leverages the Wasserstein barycenter, offering a geometrically meaningful way to quantify distribution differences and effectively capture the centroid of a set of distributions. Our approach retains the computational benefits of distribution matching-based methods while achieving new state-of-the-art performance on several benchmarks. To provide useful prior for learning the images, we embed the synthetic data into the feature space of pretrained classification models to conduct distribution matching. Extensive testing on various high-resolution datasets confirms the effectiveness and adaptability of our method, indicating the promising yet unexplored capabilities of Wasserstein metrics in dataset distillation.

Designing early warning system for precipitation requires accurate short-term forecasting system. Climate change has led to an increase in frequency of extreme weather events, and hence such systems can prevent disasters and loss of life. Managing such events remain a challenge for both public and private institutions. Precipitation nowcasting can help relevant institutions to better prepare for such events as they impact agriculture, transport, public health and safety, etc. Physics-based numerical weather prediction (NWP) is unable to perform well for nowcasting because of large computational turn-around time. Deep-learning based models on the other hand are able to give predictions within seconds. We use recently proposed NowcastNet, a physics-conditioned deep generative network, to forecast precipitation for different regions of Europe using satellite images. Both spatial and temporal transfer learning is done by forecasting for the unseen regions and year. Model makes realistic predictions and is able to outperform baseline for such a prediction task.

Historical records of climate fields are often sparse due to missing measurements, especially before the introduction of large-scale satellite missions. Several statistical and model-based methods have been introduced to fill gaps and reconstruct historical records. Here, we employ a recently introduced deep-learning approach based on Fourier convolutions, trained on numerical climate model output, to reconstruct historical climate fields. Using this approach we are able to realistically reconstruct large and irregular areas of missing data, as well as reconstruct known historical events such as strong El Ni\~no and La Ni\~na with very little given information. Our method outperforms the widely used statistical kriging method as well as other recent machine learning approaches. The model generalizes to higher resolutions than the ones it was trained on and can be used on a variety of climate fields. Moreover, it allows inpainting of masks never seen before during the model training.

The Fermat distance has been recently established as a useful tool for machine learning tasks when a natural distance is not directly available to the practitioner or to improve the results given by Euclidean distances by exploding the geometrical and statistical properties of the dataset. This distance depends on a parameter $\alpha$ that greatly impacts the performance of subsequent tasks. Ideally, the value of $\alpha$ should be large enough to navigate the geometric intricacies inherent to the problem. At the same, it should remain restrained enough to sidestep any deleterious ramifications stemming from noise during the process of distance estimation. We study both theoretically and through simulations how to select this parameter.

Off-Policy Evaluation (OPE) aims to assess the effectiveness of counterfactual policies using only offline logged data and is often used to identify the top-k promising policies for deployment in online A/B tests. Existing evaluation metrics for OPE estimators primarily focus on the "accuracy" of OPE or that of downstream policy selection, neglecting risk-return tradeoff in the subsequent online policy deployment. To address this issue, we draw inspiration from portfolio evaluation in finance and develop a new metric, called SharpeRatio@k, which measures the risk-return tradeoff of policy portfolios formed by an OPE estimator under varying online evaluation budgets (k). We validate our metric in two example scenarios, demonstrating its ability to effectively distinguish between low-risk and high-risk estimators and to accurately identify the most efficient estimator. This efficient estimator is characterized by its capability to form the most advantageous policy portfolios, maximizing returns while minimizing risks during online deployment, a nuance that existing metrics typically overlook. To facilitate a quick, accurate, and consistent evaluation of OPE via SharpeRatio@k, we have also integrated this metric into an open-source software, SCOPE-RL. Employing SharpeRatio@k and SCOPE-RL, we conduct comprehensive benchmarking experiments on various estimators and RL tasks, focusing on their risk-return tradeoff. These experiments offer several interesting directions and suggestions for future OPE research.

Federated Learning (FL) has emerged as a promising paradigm to train machine learning models collaboratively while preserving data privacy. However, its widespread adoption faces several challenges, including scalability, heterogeneous data and devices, resource constraints, and security concerns. Despite its promise, FL has not been specifically adapted for community domains, primarily due to the wide-ranging differences in data types and context, devices and operational conditions, environmental factors, and stakeholders. In response to these challenges, we present a novel framework for Community-based Federated Learning called CommunityAI. CommunityAI enables participants to be organized into communities based on their shared interests, expertise, or data characteristics. Community participants collectively contribute to training and refining learning models while maintaining data and participant privacy within their respective groups. Within this paper, we discuss the conceptual architecture, system requirements, processes, and future challenges that must be solved. Finally, our goal within this paper is to present our vision regarding enabling a collaborative learning process within various communities.

This research pioneers a method for generating immersive worlds, drawing inspiration from elements of vintage adventure games like Myst and employing modern text-to-image models. We explore the intricate conversion of 2D panoramas into 3D scenes using equirectangular projections, addressing the distortions in perception that occur as observers navigate within the encompassing sphere. Our approach employs a technique similar to "inpainting" to rectify distorted projections, enabling the smooth construction of locally coherent worlds. This provides extensive insight into the interrelation of technology, perception, and experiential reality within human-computer interaction.

Handling the ever-increasing scale of contemporary deep learning and transformer-based models poses a significant challenge. Although great strides have been made in optimizing model compression techniques such as model architecture search and knowledge distillation, the availability of data and computational resources remains a considerable hurdle for these optimizations. This paper introduces LayerCollapse, a novel alternative adaptive model compression methodology. LayerCollapse works by eliminating non-linearities within the network and collapsing two consecutive fully connected layers into a single linear transformation. This approach simultaneously reduces both the number of layers and the parameter count, thereby enhancing model efficiency. We also introduce a compression aware regularizer, which compresses the model in alignment with the dataset quality and model expressiveness, consequently reducing overfitting across tasks. Our results demonstrate LayerCollapse's effective compression and regularization capabilities in multiple fine-grained classification benchmarks, achieving up to 74% post training compression with minimal accuracy loss. We compare this method with knowledge distillation on the same target network, showcasing a five-fold increase in computational efficiency and 8% improvement in overall accuracy on the ImageNet dataset.

Transformer-based language models have been shown to be highly effective for several NLP tasks. In this paper, we consider three transformer models, BERT, RoBERTa, and XLNet, in both small and large versions, and investigate how faithful their representations are with respect to the semantic content of texts. We formalize a notion of semantic faithfulness, in which the semantic content of a text should causally figure in a model's inferences in question answering. We then test this notion by observing a model's behavior on answering questions about a story after performing two novel semantic interventions: deletion intervention and negation intervention. While transformer models achieve high performance on standard question answering tasks, we show that they fail to be semantically faithful once we perform these interventions for a significant number of cases (~50% for deletion intervention, and ~20% drop in accuracy for negation intervention). We then propose an intervention-based training regime that can mitigate the undesirable effects for deletion intervention by a significant margin (from ~ 50% to ~6%). We analyze the inner-workings of the models to better understand the effectiveness of intervention-based training for deletion intervention. But we show that this training does not attenuate other aspects of semantic unfaithfulness such as the models' inability to deal with negation intervention or to capture the predicate-argument structure of texts. We also test InstructGPT, via prompting, for its ability to handle the two interventions and to capture predicate-argument structure. While InstructGPT models do achieve very high performance on predicate-argument structure task, they fail to respond adequately to our deletion and negation interventions.

Transcription factors (TFs) play a vital role in the regulation of gene expression thereby making them critical to many cellular processes. In this study, we used graph machine learning methods to create a compendium of TF cascades using data extracted from the STRING database. A TF cascade is a sequence of TFs that regulate each other, forming a directed path in the TF network. We constructed a knowledge graph of 81,488 unique TF cascades, with the longest cascade consisting of 62 TFs. Our results highlight the complex and intricate nature of TF interactions, where multiple TFs work together to regulate gene expression. We also identified 10 TFs with the highest regulatory influence based on centrality measurements, providing valuable information for researchers interested in studying specific TFs. Furthermore, our pathway enrichment analysis revealed significant enrichment of various pathways and functional categories, including those involved in cancer and other diseases, as well as those involved in development, differentiation, and cell signaling. The enriched pathways identified in this study may have potential as targets for therapeutic intervention in diseases associated with dysregulation of transcription factors. We have released the dataset, knowledge graph, and graphML methods for the TF cascades, and created a website to display the results, which can be accessed by researchers interested in using this dataset. Our study provides a valuable resource for understanding the complex network of interactions between TFs and their regulatory roles in cellular processes.

Forecasting natural gas consumption, considering seasonality and trends, is crucial in planning its supply and consumption and optimizing the cost of obtaining it, mainly by industrial entities. However, in times of threats to its supply, it is also a critical element that guarantees the supply of this raw material to meet individual consumers' needs, ensuring society's energy security. This article introduces a novel multistep ahead forecasting of natural gas consumption with change point detection integration for model collection selection with continual learning capabilities using data stream processing. The performance of the forecasting models based on the proposed approach is evaluated in a complex real-world use case of natural gas consumption forecasting. We employed Hoeffding tree predictors as forecasting models and the Pruned Exact Linear Time (PELT) algorithm for the change point detection procedure. The change point detection integration enables selecting a different model collection for successive time frames. Thus, three model collection selection procedures (with and without an error feedback loop) are defined and evaluated for forecasting scenarios with various densities of detected change points. These models were compared with change point agnostic baseline approaches. Our experiments show that fewer change points result in a lower forecasting error regardless of the model collection selection procedure employed. Also, simpler model collection selection procedures omitting forecasting error feedback leads to more robust forecasting models suitable for continual learning tasks.

As particle accelerators increase their collision rates, and deep learning solutions prove their viability, there is a growing need for lightweight and fast neural network architectures for low-latency tasks such as triggering. We examine the potential of one recent Lorentz- and permutation-symmetric architecture, PELICAN, and present its instances with as few as 19 trainable parameters that outperform generic architectures with tens of thousands of parameters when compared on the binary classification task of top quark jet tagging.

Understanding the training dynamics of quantum neural networks is a fundamental task in quantum information science with wide impact in physics, chemistry and machine learning. In this work, we show that the late-time training dynamics of quantum neural networks can be described by the generalized Lotka-Volterra equations, which lead to a dynamical phase transition. When the targeted value of cost function crosses the minimum achievable value from above to below, the dynamics evolve from a frozen-kernel phase to a frozen-error phase, showing a duality between the quantum neural tangent kernel and the total error. In both phases, the convergence towards the fixed point is exponential, while at the critical point becomes polynomial. Via mapping the Hessian of the training dynamics to a Hamiltonian in the imaginary time, we reveal the nature of the phase transition to be second-order with the exponent $\nu=1$, where scale invariance and closing gap are observed at critical point. We also provide a non-perturbative analytical theory to explain the phase transition via a restricted Haar ensemble at late time, when the output state approaches the steady state. The theory findings are verified experimentally on IBM quantum devices.

Large language models (LLMs) provide excellent text-generation capabilities, but standard prompting and generation methods generally do not lead to intentional or goal-directed agents and might necessitate considerable prompt tuning. This becomes particularly apparent in multi-turn conversations: even the best current LLMs rarely ask clarifying questions, engage in explicit information gathering, or take actions now that lead to better decisions after multiple turns. Reinforcement learning has the potential to leverage the powerful modeling capabilities of LLMs, as well as their internal representation of textual interactions, to create capable goal-directed language agents. This can enable intentional and temporally extended interactions, such as with humans, through coordinated persuasion and carefully crafted questions, or in goal-directed play through text games to bring about desired final outcomes. However, enabling this requires the community to develop stable and reliable reinforcement learning algorithms that can effectively train LLMs. Developing such algorithms requires tasks that can gauge progress on algorithm design, provide accessible and reproducible evaluations for multi-turn interactions, and cover a range of task properties and challenges in improving reinforcement learning algorithms. Our paper introduces the LMRL-Gym benchmark for evaluating multi-turn RL for LLMs, together with an open-source research framework containing a basic toolkit for getting started on multi-turn RL with offline value-based and policy-based RL methods. Our benchmark consists of 8 different language tasks, which require multiple rounds of language interaction and cover a range of tasks in open-ended dialogue and text games.

Ensemble learning leverages multiple models (i.e., weak learners) on a common machine learning task to enhance prediction performance. Basic ensembling approaches average the weak learners outputs, while more sophisticated ones stack a machine learning model in between the weak learners outputs and the final prediction. This work fuses both aforementioned frameworks. We introduce an aggregated f-average (AFA) shallow neural network which models and combines different types of averages to perform an optimal aggregation of the weak learners predictions. We emphasise its interpretable architecture and simple training strategy, and illustrate its good performance on the problem of few-shot class incremental learning.

Semi-Markov CRF has been proposed as an alternative to the traditional Linear Chain CRF for text segmentation tasks such as Named Entity Recognition (NER). Unlike CRF, which treats text segmentation as token-level prediction, Semi-CRF considers segments as the basic unit, making it more expressive. However, Semi-CRF suffers from two major drawbacks: (1) quadratic complexity over sequence length, as it operates on every span of the input sequence, and (2) inferior performance compared to CRF for sequence labeling tasks like NER. In this paper, we introduce Filtered Semi-Markov CRF, a variant of Semi-CRF that addresses these issues by incorporating a filtering step to eliminate irrelevant segments, reducing complexity and search space. Our approach is evaluated on several NER benchmarks, where it outperforms both CRF and Semi-CRF while being significantly faster. The implementation of our method is available on \href{https://github.com/urchade/Filtered-Semi-Markov-CRF}{Github}.

Modern machine learning models are able to outperform humans on a variety of non-trivial tasks. However, as the complexity of the models increases, they consume significant amounts of power and still struggle to generalize effectively to unseen data. Local learning, which focuses on updating subsets of a model's parameters at a time, has emerged as a promising technique to address these issues. Recently, a novel local learning algorithm, called Forward-Forward, has received widespread attention due to its innovative approach to learning. Unfortunately, its application has been limited to smaller datasets due to scalability issues. To this end, we propose The Trifecta, a collection of three simple techniques that synergize exceptionally well and drastically improve the Forward-Forward algorithm on deeper networks. Our experiments demonstrate that our models are on par with similarly structured, backpropagation-based models in both training speed and test accuracy on simple datasets. This is achieved by the ability to learn representations that are informative locally, on a layer-by-layer basis, and retain their informativeness when propagated to deeper layers in the architecture. This leads to around 84\% accuracy on CIFAR-10, a notable improvement (25\%) over the original FF algorithm. These results highlight the potential of Forward-Forward as a genuine competitor to backpropagation and as a promising research avenue.

Generative adversarial networks (GANs) usually struggle in learning from highly diverse data, whose underlying manifold is complex. In this work, we revisit the mathematical foundations of GANs, and theoretically reveal that the native adversarial loss for GAN training is insufficient to fix the problem of subsets with positive Lebesgue measure of the generated data manifold lying out of the real data manifold. Instead, we find that score matching serves as a valid solution to this issue thanks to its capability of persistently pushing the generated data points towards the real data manifold. We thereby propose to improve the optimization of GANs with score matching regularity (SMaRt). Regarding the empirical evidences, we first design a toy example to show that training GANs by the aid of a ground-truth score function can help reproduce the real data distribution more accurately, and then confirm that our approach can consistently boost the synthesis performance of various state-of-the-art GANs on real-world datasets with pre-trained diffusion models acting as the approximate score function. For instance, when training Aurora on the ImageNet 64x64 dataset, we manage to improve FID from 8.87 to 7.11, on par with the performance of one-step consistency model. The source code will be made public.

Building upon recent works on linesearch-free adaptive proximal gradient methods, this paper proposes AdaPG$^{\pi,r}$, a framework that unifies and extends existing results by providing larger stepsize policies and improved lower bounds. Different choices of the parameters $\pi$ and $r$ are discussed and the efficacy of the resulting methods is demonstrated through numerical simulations. In an attempt to better understand the underlying theory, its convergence is established in a more general setting that allows for time-varying parameters. Finally, an adaptive alternating minimization algorithm is presented by exploring the dual setting. This algorithm not only incorporates additional adaptivity, but also expands its applicability beyond standard strongly convex settings.

Radiology reports are an instrumental part of modern medicine, informing key clinical decisions such as diagnosis and treatment. The worldwide shortage of radiologists, however, restricts access to expert care and imposes heavy workloads, contributing to avoidable errors and delays in report delivery. While recent progress in automated report generation with vision-language models offer clear potential in ameliorating the situation, the path to real-world adoption has been stymied by the challenge of evaluating the clinical quality of AI-generated reports. In this study, we build a state-of-the-art report generation system for chest radiographs, Flamingo-CXR, by fine-tuning a well-known vision-language foundation model on radiology data. To evaluate the quality of the AI-generated reports, a group of 16 certified radiologists provide detailed evaluations of AI-generated and human written reports for chest X-rays from an intensive care setting in the United States and an inpatient setting in India. At least one radiologist (out of two per case) preferred the AI report to the ground truth report in over 60$\%$ of cases for both datasets. Amongst the subset of AI-generated reports that contain errors, the most frequently cited reasons were related to the location and finding, whereas for human written reports, most mistakes were related to severity and finding. This disparity suggested potential complementarity between our AI system and human experts, prompting us to develop an assistive scenario in which Flamingo-CXR generates a first-draft report, which is subsequently revised by a clinician. This is the first demonstration of clinician-AI collaboration for report writing, and the resultant reports are assessed to be equivalent or preferred by at least one radiologist to reports written by experts alone in 80$\%$ of in-patient cases and 66$\%$ of intensive care cases.

Large language models have an exceptional capability to incorporate new information in a contextual manner. However, the full potential of such an approach is often restrained due to a limitation in the effective context length. One solution to this issue is to endow an attention layer with access to an external memory, which comprises of (key, value) pairs. Yet, as the number of documents increases, the proportion of relevant keys to irrelevant ones decreases, leading the model to focus more on the irrelevant keys. We identify a significant challenge, dubbed the distraction issue, where keys linked to different semantic values might overlap, making them hard to distinguish. To tackle this problem, we introduce the Focused Transformer (FoT), a technique that employs a training process inspired by contrastive learning. This novel approach enhances the structure of the (key, value) space, enabling an extension of the context length. Our method allows for fine-tuning pre-existing, large-scale models to lengthen their effective context. This is demonstrated by our fine-tuning of $3B$ and $7B$ OpenLLaMA checkpoints. The resulting models, which we name LongLLaMA, exhibit advancements in tasks requiring a long context. We further illustrate that our LongLLaMA models adeptly manage a $256 k$ context length for passkey retrieval.

Recently, in-context learning (ICL) on large language models (LLMs) has received great attention, and this technique can also be applied to vision-language models (VLMs) built upon LLMs. These VLMs can respond to queries by conditioning responses on a series of multimodal demonstrations, which comprise images, queries, and answers. Though ICL has been extensively studied on LLMs, its research on VLMs remains limited. The inclusion of additional visual information in the demonstrations motivates the following research questions: which of the two modalities in the demonstration is more significant? How can we select effective multimodal demonstrations to enhance ICL performance? This study investigates the significance of both visual and language information. Our findings indicate that ICL in VLMs is predominantly driven by the textual information in the demonstrations whereas the visual information in the demonstrations barely affects the ICL performance. Subsequently, we provide an understanding of the findings by analyzing the model information flow and comparing model inner states given different ICL settings. Motivated by our analysis, we propose a simple yet effective approach, termed Mixed Modality In-Context Example Selection (MMICES), which considers both visual and language modalities when selecting demonstrations and shows better ICL performance. Extensive experiments are conducted to support our findings, understanding, and improvement of the ICL performance of VLMs.

Semantic representations of text, i.e. representations of natural language which capture meaning by geometry, are essential for areas such as information retrieval and document grouping. High-dimensional trained dense vectors have received much attention in recent years as such representations. We investigate the structure of semantic spaces that arise from embeddings made with Sentence-BERT and find that the representations suffer from a well-known problem in high dimensions called hubness. Hubness results in asymmetric neighborhood relations, such that some texts (the hubs) are neighbours of many other texts while most texts (so-called anti-hubs), are neighbours of few or no other texts. We quantify the semantic quality of the embeddings using hubness scores and error rate of a neighbourhood based classifier. We find that when hubness is high, we can reduce error rate and hubness using hubness reduction methods. We identify a combination of two methods as resulting in the best reduction. For example, on one of the tested pretrained models, this combined method can reduce hubness by about 75% and error rate by about 9%. Thus, we argue that mitigating hubness in the embedding space provides better semantic representations of text.

Recent studies have shown promising results on utilizing large pre-trained image-language models for video question answering. While these image-language models can efficiently bootstrap the representation learning of video-language models, they typically concatenate uniformly sampled video frames as visual inputs without explicit language-aware, temporal modeling. When only a portion of a video input is relevant to the language query, such uniform frame sampling can often lead to missing important visual cues. Although humans often find a video moment to focus on and rewind the moment to answer questions, training a query-aware video moment localizer often requires expensive annotations and high computational costs. To address this issue, we propose Self-Chained Video Localization-Answering (SeViLA), a novel framework that leverages a single image-language model (BLIP-2) to tackle both temporal keyframe localization and QA on videos. SeViLA framework consists of two modules: Localizer and Answerer, where both are parameter-efficiently fine-tuned from BLIP-2. We propose two ways of chaining these modules for cascaded inference and self-refinement. First, in the forward chain, the Localizer finds multiple language-aware keyframes in a video, which the Answerer uses to predict the answer. Second, in the reverse chain, the Answerer generates keyframe pseudo-labels to refine the Localizer, alleviating the need for expensive video moment localization annotations. Our SeViLA framework outperforms several strong baselines on 5 challenging video QA and event prediction benchmarks, and achieves the state-of-the-art in both fine-tuning (NExT-QA, STAR) and zero-shot (NExT-QA, STAR, How2QA, VLEP) settings. We also analyze the impact of Localizer, comparisons of Localizer with other temporal localization models, pre-training/self-refinement of Localizer, and varying the number of keyframes.

We study the problem of determining the configuration of $n$ points, referred to as mobile nodes, by utilizing pairwise distances to $m$ fixed points known as anchor nodes. In the standard setting, we have information about the distances between anchors (anchor-anchor) and between anchors and mobile nodes (anchor-mobile), but the distances between mobile nodes (mobile-mobile) are not known. For this setup, the Nystr\"om method is a viable technique for estimating the positions of the mobile nodes. This study focuses on the setting where the anchor-mobile block of the distance matrix contains only partial distance information. First, we establish a relationship between the columns of the anchor-mobile block in the distance matrix and the columns of the corresponding block in the Gram matrix via a graph Laplacian. Exploiting this connection, we introduce a novel sampling model that frames the position estimation problem as low-rank recovery of an inner product matrix, given a subset of its expansion coefficients in a special non-orthogonal basis. This basis and its dual basis--the central elements of our model--are explicitly derived. Our analysis is grounded in a specific centering of the points that is unique to the Nystr\"om method. With this in mind, we extend previous work in Euclidean distance geometry by providing a general dual basis approach for points centered anywhere.

Collaborative inference systems are one of the emerging solutions for deploying deep neural networks (DNNs) at the wireless network edge. Their main idea is to divide a DNN into two parts, where the first is shallow enough to be reliably executed at edge devices of limited computational power, while the second part is executed at an edge server with higher computational capabilities. The main advantage of such systems is that the input of the DNN gets compressed as the subsequent layers of the shallow part extract only the information necessary for the task. As a result, significant communication savings can be achieved compared to transmitting raw input samples. In this work, we study early exiting in the context of collaborative inference, which allows obtaining inference results at the edge device for certain samples, without the need to transmit the partially processed data to the edge server at all, leading to further communication savings. The central part of our system is the transmission-decision (TD) mechanism, which, given the information from the early exit, and the wireless channel conditions, decides whether to keep the early exit prediction or transmit the data to the edge server for further processing. In this paper, we evaluate various TD mechanisms and show experimentally, that for an image classification task over the wireless edge, proper utilization of early exits can provide both performance gains and significant communication savings.

Transfer learning is a conceptually-enticing paradigm in pursuit of truly intelligent embodied agents. The core concept -- reusing prior knowledge to learn in and from novel situations -- is successfully leveraged by humans to handle novel situations. In recent years, transfer learning has received renewed interest from the community from different perspectives, including imitation learning, domain adaptation, and transfer of experience from simulation to the real world, among others. In this paper, we unify the concept of transfer learning in robotics and provide the first taxonomy of its kind considering the key concepts of robot, task, and environment. Through a review of the promises and challenges in the field, we identify the need of transferring at different abstraction levels, the need of quantifying the transfer gap and the quality of transfer, as well as the dangers of negative transfer. Via this position paper, we hope to channel the effort of the community towards the most significant roadblocks to realize the full potential of transfer learning in robotics.

High-dimensional time series data poses challenges due to its dynamic nature, varying lengths, and presence of missing values. This kind of data requires extensive preprocessing, limiting the applicability of existing Time Series Classification and Time Series Extrinsic Regression techniques. For this reason, we propose BORF, a Bag-Of-Receptive-Fields model, which incorporates notions from time series convolution and 1D-SAX to handle univariate and multivariate time series with varying lengths and missing values. We evaluate BORF on Time Series Classification and Time Series Extrinsic Regression tasks using the full UEA and UCR repositories, demonstrating its competitive performance against state-of-the-art methods. Finally, we outline how this representation can naturally provide saliency and feature-based explanations.

Forecasting building energy consumption has become a promising solution in Building Energy Management Systems for energy saving and optimization. Furthermore, it can play an important role in the efficient management of the operation of a smart grid. Different data-driven approaches to forecast the future energy demand of buildings at different scale, and over various time horizons, can be found in the scientific literature, including extensive Machine Learning and Deep Learning approaches. However, the identification of the most accurate forecaster model which can be utilized to predict the energy demand of such a building is still challenging.In this paper, the design and implementation of a data-driven approach to predict how forecastable the future energy demand of a building is, without first utilizing a data-driven forecasting model, is presented. The investigation utilizes a historical electricity consumption time series data set with a half-hour interval that has been collected from a group of residential buildings located in the City of London, United Kingdom

We present a novel technique for exercising greater control of the weights of ReLU activated neural networks to produce more accurate function approximations. Many theoretical works encode complex operations into ReLU networks using smaller base components. In these works, a common base component is a constant width approximation to x^2, which has exponentially decaying error with respect to depth. We extend this block to represent a greater range of convex one-dimensional functions. We derive a manifold of weights such that the output of these new networks utilizes exponentially many piecewise-linear segments. This manifold guides their training process to overcome drawbacks associated with random initialization and unassisted gradient descent. We train these networks to approximate functions which do not necessarily lie on the manifold, showing a significant reduction of error values over conventional approaches.

Distribution shifts between training and deployment data often affect the performance of machine learning models. In this paper, we explore a setting where a hidden variable induces a shift in the distribution of classes. These distribution shifts are particularly challenging for zero-shot classifiers, as they rely on representations learned from training classes, but are deployed on new, unseen ones. We introduce an algorithm to learn data representations that are robust to such class distribution shifts in zero-shot verification tasks. We show that our approach, which combines hierarchical data sampling with out-of-distribution generalization techniques, improves generalization to diverse class distributions in both simulations and real-world datasets.

The variability in EEG signals between different individuals poses a significant challenge when implementing brain-computer interfaces (BCI). Commonly proposed solutions to this problem include deep learning models, due to their increased capacity and generalization, as well as explicit domain adaptation techniques. Here, we introduce the Latent Alignment method that won the Benchmarks for EEG Transfer Learning (BEETL) competition and present its formulation as a deep set applied on the set of trials from a given subject. Its performance is compared to recent statistical domain adaptation techniques under various conditions. The experimental paradigms include motor imagery (MI), oddball event-related potentials (ERP) and sleep stage classification, where different well-established deep learning models are applied on each task. Our experimental results show that performing statistical distribution alignment at later stages in a deep learning model is beneficial to the classification accuracy, yielding the highest performance for our proposed method. We further investigate practical considerations that arise in the context of using deep learning and statistical alignment for EEG decoding. In this regard, we study class-discriminative artifacts that can spuriously improve results for deep learning models, as well as the impact of class-imbalance on alignment. We delineate a trade-off relationship between increased classification accuracy when alignment is performed at later modeling stages, and susceptibility to class-imbalance in the set of trials that the statistics are computed on.

Backtracking linesearch is the de facto approach for minimizing continuously differentiable functions with locally Lipschitz gradient. In recent years, it has been shown that in the convex setting it is possible to avoid linesearch altogether, and to allow the stepsize to adapt based on a local smoothness estimate without any backtracks or evaluations of the function value. In this work we propose an adaptive proximal gradient method, adaPG, that uses novel estimates of the local smoothness modulus which leads to less conservative stepsize updates and that can additionally cope with nonsmooth terms. This idea is extended to the primal-dual setting where an adaptive three-term primal-dual algorithm, adaPD, is proposed which can be viewed as an extension of the PDHG method. Moreover, in this setting the ``essentially'' fully adaptive variant adaPD$^+$ is proposed that avoids evaluating the linear operator norm by invoking a backtracking procedure, that, remarkably, does not require extra gradient evaluations. Numerical simulations demonstrate the effectiveness of the proposed algorithms compared to the state of the art.

Neural networks are susceptible to adversarial perturbations that are transferable across different models. In this paper, we introduce a novel model alignment technique aimed at improving a given source model's ability in generating transferable adversarial perturbations. During the alignment process, the parameters of the source model are fine-tuned to minimize an alignment loss. This loss measures the divergence in the predictions between the source model and another, independently trained model, referred to as the witness model. To understand the effect of model alignment, we conduct a geometric anlaysis of the resulting changes in the loss landscape. Extensive experiments on the ImageNet dataset, using a variety of model architectures, demonstrate that perturbations generated from aligned source models exhibit significantly higher transferability than those from the original source model.

Machine learning plays an important and growing role in molecular simulation. The newest version of the OpenMM molecular dynamics toolkit introduces new features to support the use of machine learning potentials. Arbitrary PyTorch models can be added to a simulation and used to compute forces and energy. A higher-level interface allows users to easily model their molecules of interest with general purpose, pretrained potential functions. A collection of optimized CUDA kernels and custom PyTorch operations greatly improves the speed of simulations. We demonstrate these features on simulations of cyclin-dependent kinase 8 (CDK8) and the green fluorescent protein (GFP) chromophore in water. Taken together, these features make it practical to use machine learning to improve the accuracy of simulations at only a modest increase in cost.

Active Learning has received significant attention in the field of machine learning for its potential in selecting the most informative samples for labeling, thereby reducing data annotation costs. However, we show that the reported lifts in recent literature generalize poorly to other domains leading to an inconclusive landscape in Active Learning research. Furthermore, we highlight overlooked problems for reproducing AL experiments that can lead to unfair comparisons and increased variance in the results. This paper addresses these issues by providing an Active Learning framework for a fair comparison of algorithms across different tasks and domains, as well as a fast and performant oracle algorithm for evaluation. To the best of our knowledge, we propose the first AL benchmark that tests algorithms in 3 major domains: Tabular, Image, and Text. We report empirical results for 6 widely used algorithms on 7 real-world and 2 synthetic datasets and aggregate them into a domain-specific ranking of AL algorithms.

The generalization of machine learning (ML) models to out-of-distribution (OOD) examples remains a key challenge in extracting information from upcoming astronomical surveys. Interpretability approaches are a natural way to gain insights into the OOD generalization problem. We use Centered Kernel Alignment (CKA), a similarity measure metric of neural network representations, to examine the relationship between representation similarity and performance of pre-trained Convolutional Neural Networks (CNNs) on the CAMELS Multifield Dataset. We find that when models are robust to a distribution shift, they produce substantially different representations across their layers on OOD data. However, when they fail to generalize, these representations change less from layer to layer on OOD data. We discuss the potential application of similarity representation in guiding model design, training strategy, and mitigating the OOD problem by incorporating CKA as an inductive bias during training.

Time series forecasting lies at the core of important real-world applications in many fields of science and engineering. The abundance of large time series datasets that consist of complex patterns and long-term dependencies has led to the development of various neural network architectures. Graph neural network approaches, which jointly learn a graph structure based on the correlation of raw values of multivariate time series while forecasting, have recently seen great success. However, such solutions are often costly to train and difficult to scale. In this paper, we propose TimeGNN, a method that learns dynamic temporal graph representations that can capture the evolution of inter-series patterns along with the correlations of multiple series. TimeGNN achieves inference times 4 to 80 times faster than other state-of-the-art graph-based methods while achieving comparable forecasting performance

We introduce the sparse modern Hopfield model as a sparse extension of the modern Hopfield model. Like its dense counterpart, the sparse modern Hopfield model equips a memory-retrieval dynamics whose one-step approximation corresponds to the sparse attention mechanism. Theoretically, our key contribution is a principled derivation of a closed-form sparse Hopfield energy using the convex conjugate of the sparse entropic regularizer. Building upon this, we derive the sparse memory retrieval dynamics from the sparse energy function and show its one-step approximation is equivalent to the sparse-structured attention. Importantly, we provide a sparsity-dependent memory retrieval error bound which is provably tighter than its dense analog. The conditions for the benefits of sparsity to arise are therefore identified and discussed. In addition, we show that the sparse modern Hopfield model maintains the robust theoretical properties of its dense counterpart, including rapid fixed point convergence and exponential memory capacity. Empirically, we use both synthetic and real-world datasets to demonstrate that the sparse Hopfield model outperforms its dense counterpart in many situations.

The current high-fidelity generation and high-precision detection of DeepFake images are at an arms race. We believe that producing DeepFakes that are highly realistic and 'detection evasive' can serve the ultimate goal of improving future generation DeepFake detection capabilities. In this paper, we propose a simple yet powerful pipeline to reduce the artifact patterns of fake images without hurting image quality by performing implicit spatial-domain notch filtering. We first demonstrate that frequency-domain notch filtering, although famously shown to be effective in removing periodic noise in the spatial domain, is infeasible for our task at hand due to the manual designs required for the notch filters. We, therefore, resort to a learning-based approach to reproduce the notch filtering effects, but solely in the spatial domain. We adopt a combination of adding overwhelming spatial noise for breaking the periodic noise pattern and deep image filtering to reconstruct the noise-free fake images, and we name our method DeepNotch. Deep image filtering provides a specialized filter for each pixel in the noisy image, producing filtered images with high fidelity compared to their DeepFake counterparts. Moreover, we also use the semantic information of the image to generate an adversarial guidance map to add noise intelligently. Our large-scale evaluation on 3 representative state-of-the-art DeepFake detection methods (tested on 16 types of DeepFakes) has demonstrated that our technique significantly reduces the accuracy of these 3 fake image detection methods, 36.79% on average and up to 97.02% in the best case.

This paper introduces a novel deep learning approach to predict the engineering properties of the ground improved by Rapid Impact Compaction (RIC), which is a ground improvement technique that uses a drop hammer to compact the soil and fill layers. The proposed approach uses transformer-based neural networks to capture the complex nonlinear relationships between the input features, such as the hammer energy, drop height, and number of blows, and the output variables, such as the cone resistance. The approach is applied to a real-world dataset from a trial test section for the new apron construction of the Utapao International Airport in Thailand. The results show that the proposed approach outperforms the existing methods in terms of prediction accuracy and efficiency and provides interpretable attention maps that reveal the importance of different features for RIC prediction. The paper also discusses the limitations and future directions of applying deep learning methods to RIC prediction.

In this paper, a pragmatic semantic communication framework that enables effective goal-oriented information sharing between two-intelligent agents is proposed. In particular, semantics is defined as the causal state that encapsulates the fundamental causal relationships and dependencies among different features extracted from data. The proposed framework leverages the emerging concept in machine learning (ML) called theory of mind (ToM). It employs a dynamic two-level (wireless and semantic) feedback mechanism to continuously fine-tune neural network components at the transmitter. Thanks to the ToM, the transmitter mimics the actual mental state of the receiver's reasoning neural network operating semantic interpretation. Then, the estimated mental state at the receiver is dynamically updated thanks to the proposed dynamic two-level feedback mechanism. At the lower level, conventional channel quality metrics are used to optimize the channel encoding process based on the wireless communication channel's quality, ensuring an efficient mapping of semantic representations to a finite constellation. Additionally, a semantic feedback level is introduced, providing information on the receiver's perceived semantic effectiveness with minimal overhead. Numerical evaluations demonstrate the framework's ability to achieve efficient communication with a reduced amount of bits while maintaining the same semantics, outperforming conventional systems that do not exploit the ToM-based reasoning.

Lipschitz continuity is a crucial functional property of any predictive model, that naturally governs its robustness, generalisation, as well as adversarial vulnerability. Contrary to other works that focus on obtaining tighter bounds and developing different practical strategies to enforce certain Lipschitz properties, we aim to thoroughly examine and characterise the Lipschitz behaviour of Neural Networks. Thus, we carry out an empirical investigation in a range of different settings (namely, architectures, datasets, label noise, and more) by exhausting the limits of the simplest and the most general lower and upper bounds. As a highlight of this investigation, we showcase a remarkable fidelity of the lower Lipschitz bound, identify a striking Double Descent trend in both upper and lower bounds to the Lipschitz and explain the intriguing effects of label noise on function smoothness and generalisation.

Many approaches have been proposed to use diffusion models to augment training datasets for downstream tasks, such as classification. However, diffusion models are themselves trained on large datasets, often with noisy annotations, and it remains an open question to which extent these models contribute to downstream classification performance. In particular, it remains unclear if they generalize enough to improve over directly using the additional data of their pre-training process for augmentation. We systematically evaluate a range of existing methods to generate images from diffusion models and study new extensions to assess their benefit for data augmentation. Personalizing diffusion models towards the target data outperforms simpler prompting strategies. However, using the pre-training data of the diffusion model alone, via a simple nearest-neighbor retrieval procedure, leads to even stronger downstream performance. Our study explores the potential of diffusion models in generating new training data, and surprisingly finds that these sophisticated models are not yet able to beat a simple and strong image retrieval baseline on simple downstream vision tasks.

Accuracy and interpretability of a (non-life) insurance pricing model are essential qualities to ensure fair and transparent premiums for policy-holders, that reflect their risk. In recent years, the classification and regression trees (CARTs) and their ensembles have gained popularity in the actuarial literature, since they offer good prediction performance and are relatively easily interpretable. In this paper, we introduce Bayesian CART models for insurance pricing, with a particular focus on claims frequency modelling. Additionally to the common Poisson and negative binomial (NB) distributions used for claims frequency, we implement Bayesian CART for the zero-inflated Poisson (ZIP) distribution to address the difficulty arising from the imbalanced insurance claims data. To this end, we introduce a general MCMC algorithm using data augmentation methods for posterior tree exploration. We also introduce the deviance information criterion (DIC) for the tree model selection. The proposed models are able to identify trees which can better classify the policy-holders into risk groups. Some simulations and real insurance data will be discussed to illustrate the applicability of these models.

Numerous studies have highlighted the privacy risks associated with pretrained large language models. In contrast, our research offers a unique perspective by demonstrating that pretrained large language models can effectively contribute to privacy preservation. We propose a locally differentially private mechanism called DP-Prompt, which leverages the power of pretrained large language models and zero-shot prompting to counter author de-anonymization attacks while minimizing the impact on downstream utility. When DP-Prompt is used with a powerful language model like ChatGPT (gpt-3.5), we observe a notable reduction in the success rate of de-anonymization attacks, showing that it surpasses existing approaches by a considerable margin despite its simpler design. For instance, in the case of the IMDB dataset, DP-Prompt (with ChatGPT) perfectly recovers the clean sentiment F1 score while achieving a 46\% reduction in author identification F1 score against static attackers and a 26\% reduction against adaptive attackers. We conduct extensive experiments across six open-source large language models, ranging up to 7 billion parameters, to analyze various effects of the privacy-utility tradeoff.

Machine learning approaches for solving partial differential equations require learning mappings between function spaces. While convolutional or graph neural networks are constrained to discretized functions, neural operators present a promising milestone toward mapping functions directly. Despite impressive results they still face challenges with respect to the domain geometry and typically rely on some form of discretization. In order to alleviate such limitations, we present CORAL, a new method that leverages coordinate-based networks for solving PDEs on general geometries. CORAL is designed to remove constraints on the input mesh, making it applicable to any spatial sampling and geometry. Its ability extends to diverse problem domains, including PDE solving, spatio-temporal forecasting, and inverse problems like geometric design. CORAL demonstrates robust performance across multiple resolutions and performs well in both convex and non-convex domains, surpassing or performing on par with state-of-the-art models.

As the deployment of computer vision technology becomes increasingly common in science, the need for explanations of the system and its output has become a focus of great concern. Driven by the pressing need for interpretable models in science, we propose the use of Explainable Boosting Machines (EBMs) for scientific image data. Inspired by an important application underpinning the development of quantum technologies, we apply EBMs to cold-atom soliton image data tabularized using Gabor Wavelet Transform-based techniques that preserve the spatial structure of the data. In doing so, we demonstrate the use of EBMs for image data for the first time and show that our approach provides explanations that are consistent with human intuition about the data.

With the remarkable advent of text-to-image diffusion models, image editing methods have become more diverse and continue to evolve. A promising recent approach in this realm is Delta Denoising Score (DDS) - an image editing technique based on Score Distillation Sampling (SDS) framework that leverages the rich generative prior of text-to-image diffusion models. However, relying solely on the difference between scoring functions is insufficient for preserving specific structural elements from the original image, a crucial aspect of image editing. Inspired by the similarity and importance differences between DDS and the contrastive learning for unpaired image-to-image translation (CUT), here we present an embarrassingly simple yet very powerful modification of DDS, called Contrastive Denoising Score (CDS), for latent diffusion models (LDM). Specifically, to enforce structural correspondence between the input and output while maintaining the controllability of contents, we introduce a straightforward approach to regulate structural consistency using CUT loss within the DDS framework. To calculate this loss, instead of employing auxiliary networks, we utilize the intermediate features of LDM, in particular, those from the self-attention layers, which possesses rich spatial information. Our approach enables zero-shot image-to-image translation and neural radiance field (NeRF) editing, achieving a well-balanced interplay between maintaining the structural details and transforming content. Qualitative results and comparisons demonstrates the effectiveness of our proposed method. Project page with code is available at https://hyelinnam.github.io/CDS/.

We present a novel machine learning approach for data assimilation applied in fluid mechanics, based on adjoint-optimization augmented by Graph Neural Networks (GNNs) models. We consider as baseline the Reynolds-Averaged Navier-Stokes (RANS) equations, where the unknown is the meanflow and a closure model based on the Reynolds-stress tensor is required for correctly computing the solution. An end-to-end process is cast; first, we train a GNN model for the closure term. Second, the GNN model is introduced in the training process of data assimilation, where the RANS equations act as a physics constraint for a consistent prediction. We obtain our results using direct numerical simulations based on a Finite Element Method (FEM) solver; a two-fold interface between the GNN model and the solver allows the GNN's predictions to be incorporated into post-processing steps of the FEM analysis. The proposed scheme provides an excellent reconstruction of the meanflow without any features selection; preliminary results show promising generalization properties over unseen flow configurations.

Hallucinations and unfaithful synthesis due to inaccurate prompts with insufficient semantic details are widely observed in multimodal generative models. A prevalent strategy to align multiple modalities is to fine-tune the generator with a large number of annotated text-image pairs. However, such a procedure is labor-consuming and resource-draining. The key question we ask is: can we enhance the quality and faithfulness of text-driven generative models beyond extensive text-image pair annotations? To address this question, we propose Knowledge Pursuit Prompting (KPP), a zero-shot framework that iteratively incorporates external knowledge to help generators produce reliable visual content. Instead of training generators to handle generic prompts, KPP employs a recursive knowledge query process to gather informative external facts from the knowledge base, instructs a language model to compress the acquired knowledge for prompt refinement, and utilizes text-driven generators for visual synthesis. The entire process is zero-shot, without accessing the architectures and parameters of generative models. We evaluate the framework across multiple text-driven generative tasks (image, 3D rendering, and video) on datasets of different domains. We further demonstrate the extensibility and adaptability of KPP through varying foundation model bases and instructions. Our results show that KPP is capable of generating faithful and semantically rich content across diverse visual domains, offering a promising solution to improve multimodal generative models.

Current deep learning-based approaches for the segmentation of microscopy images heavily rely on large amount of training data with dense annotation, which is highly costly and laborious in practice. Compared to full annotation where the complete contour of objects is depicted, point annotations, specifically object centroids, are much easier to acquire and still provide crucial information about the objects for subsequent segmentation. In this paper, we assume access to point annotations only during training and develop a unified pipeline for microscopy image segmentation using synthetically generated training data. Our framework includes three stages: (1) it takes point annotations and samples a pseudo dense segmentation mask constrained with shape priors; (2) with an image generative model trained in an unpaired manner, it translates the mask to a realistic microscopy image regularized by object level consistency; (3) the pseudo masks along with the synthetic images then constitute a pairwise dataset for training an ad-hoc segmentation model. On the public MoNuSeg dataset, our synthesis pipeline produces more diverse and realistic images than baseline models while maintaining high coherence between input masks and generated images. When using the identical segmentation backbones, the models trained on our synthetic dataset significantly outperform those trained with pseudo-labels or baseline-generated images. Moreover, our framework achieves comparable results to models trained on authentic microscopy images with dense labels, demonstrating its potential as a reliable and highly efficient alternative to labor-intensive manual pixel-wise annotations in microscopy image segmentation. The code is available.

Fairness for machine learning predictions is widely required in practice for legal, ethical, and societal reasons. Existing work typically focuses on settings without unobserved confounding, even though unobserved confounding can lead to severe violations of causal fairness and, thus, unfair predictions. In this work, we analyze the sensitivity of causal fairness to unobserved confounding. Our contributions are three-fold. First, we derive bounds for causal fairness metrics under different sources of unobserved confounding. This enables practitioners to examine the sensitivity of their machine learning models to unobserved confounding in fairness-critical applications. Second, we propose a novel neural framework for learning fair predictions, which allows us to offer worst-case guarantees of the extent to which causal fairness can be violated due to unobserved confounding. Third, we demonstrate the effectiveness of our framework in a series of experiments, including a real-world case study about predicting prison sentences. To the best of our knowledge, ours is the first work to study causal fairness under unobserved confounding. To this end, our work is of direct practical value as a refutation strategy to ensure the fairness of predictions in high-stakes applications.

This paper addresses spoken language understanding (SLU) on microcontroller-like embedded devices, integrating on-device execution with cloud offloading in a novel fashion. We exploit temporal locality in a device's speech inputs and accordingly reuse recent SLU inferences. Our idea is simple: let the device match new inputs against cached results, and only offload unmatched inputs to the cloud for full inference. Realization of this idea, however, is non-trivial: the device needs to compare acoustic features in a robust, low-cost way. To this end, we present XYZ, a speech cache for tiny devices. It matches speech inputs at two levels of representations: first by clustered sequences of raw sound units, then as sequences of phonemes. Working in tandem, the two representations offer complementary cost/accuracy tradeoffs. To further boost accuracy, our cache is learning: with the mismatched and then offloaded inputs, it continuously finetunes the device's feature extractors (with the assistance of the cloud). We implement XYZ on an off-the-shelf STM32 microcontroller. The resultant implementation has a small memory footprint of 2MB. Evaluated on challenging speech benchmarks, our system resolves 45%--90% of inputs on device, reducing the average latency by up to 80% compared to offloading to popular cloud speech services. Our benefit is pronounced even in adversarial settings -- noisy environments, cold cache, or one device shared by a number of users.

The advent of Generative AI has marked a significant milestone in artificial intelligence, demonstrating remarkable capabilities in generating realistic images, texts, and data patterns. However, these advancements come with heightened concerns over data privacy and copyright infringement, primarily due to the reliance on vast datasets for model training. Traditional approaches like differential privacy, machine unlearning, and data poisoning only offer fragmented solutions to these complex issues. Our paper delves into the multifaceted challenges of privacy and copyright protection within the data lifecycle. We advocate for integrated approaches that combines technical innovation with ethical foresight, holistically addressing these concerns by investigating and devising solutions that are informed by the lifecycle perspective. This work aims to catalyze a broader discussion and inspire concerted efforts towards data privacy and copyright integrity in Generative AI.

Neural architecture search has proven to be a powerful approach to designing and refining neural networks, often boosting their performance and efficiency over manually-designed variations, but comes with computational overhead. While there has been a considerable amount of research focused on lowering the cost of NAS for mainstream tasks, such as image classification, a lot of those improvements stem from the fact that those tasks are well-studied in the broader context. Consequently, applicability of NAS to emerging and under-represented domains is still associated with a relatively high cost and/or uncertainty about the achievable gains. To address this issue, we turn our focus towards the recent growth of publicly available NAS benchmarks in an attempt to extract general NAS knowledge, transferable across different tasks and search spaces. We borrow from the rich field of meta-learning for few-shot adaptation and carefully study applicability of those methods to NAS, with a special focus on the relationship between task-level correlation (domain shift) and predictor transferability; which we deem critical for improving NAS on diverse tasks. In our experiments, we use 6 NAS benchmarks in conjunction, spanning in total 16 NAS settings -- our meta-learning approach not only shows superior (or matching) performance in the cross-validation experiments but also successful extrapolation to a new search space and tasks.

Many graph representation learning (GRL) problems are dynamic, with millions of edges added or removed per second. A fundamental workload in this setting is dynamic link prediction: using a history of graph updates to predict whether a given pair of vertices will become connected. Recent schemes for link prediction in such dynamic settings employ Transformers, modeling individual graph updates as single tokens. In this work, we propose HOT: a model that enhances this line of works by harnessing higher-order (HO) graph structures; specifically, k-hop neighbors and more general subgraphs containing a given pair of vertices. Harnessing such HO structures by encoding them into the attention matrix of the underlying Transformer results in higher accuracy of link prediction outcomes, but at the expense of increased memory pressure. To alleviate this, we resort to a recent class of schemes that impose hierarchy on the attention matrix, significantly reducing memory footprint. The final design offers a sweetspot between high accuracy and low memory utilization. HOT outperforms other dynamic GRL schemes, for example achieving 9%, 7%, and 15% higher accuracy than - respectively - DyGFormer, TGN, and GraphMixer, for the MOOC dataset. Our design can be seamlessly extended towards other dynamic GRL workloads.

This paper proposes a novel, data-agnostic, model poisoning attack on Federated Learning (FL), by designing a new adversarial graph autoencoder (GAE)-based framework. The attack requires no knowledge of FL training data and achieves both effectiveness and undetectability. By listening to the benign local models and the global model, the attacker extracts the graph structural correlations among the benign local models and the training data features substantiating the models. The attacker then adversarially regenerates the graph structural correlations while maximizing the FL training loss, and subsequently generates malicious local models using the adversarial graph structure and the training data features of the benign ones. A new algorithm is designed to iteratively train the malicious local models using GAE and sub-gradient descent. The convergence of FL under attack is rigorously proved, with a considerably large optimality gap. Experiments show that the FL accuracy drops gradually under the proposed attack and existing defense mechanisms fail to detect it. The attack can give rise to an infection across all benign devices, making it a serious threat to FL.

In-context learning (ICL) refers to the ability of a model to condition on a few in-context demonstrations (input-output examples of the underlying task) to generate the answer for a new query input, without updating parameters. Despite the impressive ICL ability of LLMs, it has also been found that ICL in LLMs is sensitive to input demonstrations and limited to short context lengths. To understand the limitations and principles for successful ICL, we conduct an investigation with ICL linear regression of transformers. We characterize several Out-of-Distribution (OOD) cases for ICL inspired by realistic LLM ICL failures and compare transformers with DeepSet, a simple yet powerful architecture for ICL. Surprisingly, DeepSet outperforms transformers across a variety of distribution shifts, implying that preserving permutation invariance symmetry to input demonstrations is crucial for OOD ICL. The phenomenon specifies a fundamental requirement by ICL, which we termed as ICL invariance. Nevertheless, the positional encodings in LLMs will break ICL invariance. To this end, we further evaluate transformers with identical positional encodings and find preserving ICL invariance in transformers achieves state-of-the-art performance across various ICL distribution shifts

Recent progress in computer vision-oriented neural network designs is mostly driven by capturing high-order neural interactions among inputs and features. And there emerged a variety of approaches to accomplish this, such as Transformers and its variants. However, these interactions generate a large amount of intermediate state and/or strong data dependency, leading to considerable memory consumption and computing cost, and therefore compromising the overall runtime performance. To address this challenge, we rethink the high-order interactive neural network design with a quadratic computing approach. Specifically, we propose QuadraNet -- a comprehensive model design methodology from neuron reconstruction to structural block and eventually to the overall neural network implementation. Leveraging quadratic neurons' intrinsic high-order advantages and dedicated computation optimization schemes, QuadraNet could effectively achieve optimal cognition and computation performance. Incorporating state-of-the-art hardware-aware neural architecture search and system integration techniques, QuadraNet could also be well generalized in different hardware constraint settings and deployment scenarios. The experiment shows thatQuadraNet achieves up to 1.5$\times$ throughput, 30% less memory footprint, and similar cognition performance, compared with the state-of-the-art high-order approaches.

Modern text-to-image generation models produce high-quality images that are both photorealistic and faithful to the text prompts. However, this quality comes at significant computational cost: nearly all of these models are iterative and require running sampling multiple times with large models. This iterative process is needed to ensure that different regions of the image are not only aligned with the text prompt, but also compatible with each other. In this work, we propose a light-weight approach to achieving this compatibility between different regions of an image, using a Markov Random Field (MRF) model. We demonstrate the effectiveness of this method on top of the latent token-based Muse text-to-image model. The MRF richly encodes the compatibility among image tokens at different spatial locations to improve quality and significantly reduce the required number of Muse sampling steps. Inference with the MRF is significantly cheaper, and its parameters can be quickly learned through back-propagation by modeling MRF inference as a differentiable neural-network layer. Our full model, MarkovGen, uses this proposed MRF model to both speed up Muse by 1.5X and produce higher quality images by decreasing undesirable image artifacts.

Fractional derivatives are a well-studied generalization of integer order derivatives. Naturally, for optimization, it is of interest to understand the convergence properties of gradient descent using fractional derivatives. Convergence analysis of fractional gradient descent is currently limited both in the methods analyzed and the settings analyzed. This paper aims to fill in these gaps by analyzing variations of fractional gradient descent in smooth and convex, smooth and strongly convex, and smooth and non-convex settings. First, novel bounds will be established bridging fractional and integer derivatives. Then, these bounds will be applied to the aforementioned settings to prove $O(1/T)$ convergence for smooth and convex functions and linear convergence for smooth and strongly convex functions. Additionally, we prove $O(1/T)$ convergence for smooth and non-convex functions using an extended notion of smoothness that is more natural for fractional derivatives. Finally, empirical results will be presented on the potential speed up of fractional gradient descent over standard gradient descent as well as the challenges of predicting which will be faster in general.

This research examines the polycentric governance of digital assets in Decentralized Autonomous Organizations (DAOs). It offers a theoretical framework and addresses a critical challenge facing decentralized governance by developing a method to identify sybils, or spurious identities. The method uses graph deep learning techniques to identify sybil activity in a DAO governance dataset (snapshot.org). Specifically, a Graph Convolutional Neural Network (GCNN) learned voting behaviours and a fast k-means vector clustering algorithm (FAISS) used the high dimensional embeddings to identify similar nodes in a graph. The results reveal that deep learning can effectively identify sybils, reducing the voting graph by 2-5%. This research underscores the importance of sybil resistance in DAOs and offers a novel perspective on decentralized governance, informing future policy, regulation, and governance practices.

Specialized hardware accelerators have been extensively used for Deep Neural Networks (DNNs) to provide power/performance benefits. These accelerators contain specialized hardware that supports DNN operators, and scratchpad memory for storing the tensor operands. Often, the size of the scratchpad is insufficient to store all the tensors needed for the computation, and additional data accesses are needed to move tensors back and forth from host memory during the computation with significant power/performance overhead. The volume of these additional data accesses depends on the operator schedule, and memory allocation (specific locations selected for the tensors in the scratchpad). We propose an optimization framework, named COSMA, for mapping DNNs to an accelerator that finds the optimal operator schedule, memory allocation and tensor replacement that minimizes the additional data accesses. COSMA provides an Integer Linear Programming (ILP) formulation to generate the optimal solution for mapping a DNN to the accelerator for a given scratchpad size. We demonstrate that, using an off-the-shelf ILP solver, COSMA obtains the optimal solution in seconds for a wide-range of state-of-the-art DNNs for different applications. Further, it out-performs existing methods by reducing on average 84% of the non-compulsory data accesses. We further propose a divide-and-conquer heuristic to scale up to certain complex DNNs generated by Neural Architecture Search, and this heuristic solution reduces on average 85% data accesses compared with other works.

We consider the task of animating 3D facial geometry from speech signal. Existing works are primarily deterministic, focusing on learning a one-to-one mapping from speech signal to 3D face meshes on small datasets with limited speakers. While these models can achieve high-quality lip articulation for speakers in the training set, they are unable to capture the full and diverse distribution of 3D facial motions that accompany speech in the real world. Importantly, the relationship between speech and facial motion is one-to-many, containing both inter-speaker and intra-speaker variations and necessitating a probabilistic approach. In this paper, we identify and address key challenges that have so far limited the development of probabilistic models: lack of datasets and metrics that are suitable for training and evaluating them, as well as the difficulty of designing a model that generates diverse results while remaining faithful to a strong conditioning signal as speech. We first propose large-scale benchmark datasets and metrics suitable for probabilistic modeling. Then, we demonstrate a probabilistic model that achieves both diversity and fidelity to speech, outperforming other methods across the proposed benchmarks. Finally, we showcase useful applications of probabilistic models trained on these large-scale datasets: we can generate diverse speech-driven 3D facial motion that matches unseen speaker styles extracted from reference clips; and our synthetic meshes can be used to improve the performance of downstream audio-visual models.

The rise of machine learning (ML) systems has exacerbated their carbon footprint due to increased capabilities and model sizes. However, there is scarce knowledge on how the carbon footprint of ML models is actually measured, reported, and evaluated. In light of this, the paper aims to analyze the measurement of the carbon footprint of 1,417 ML models and associated datasets on Hugging Face, which is the most popular repository for pretrained ML models. The goal is to provide insights and recommendations on how to report and optimize the carbon efficiency of ML models. The study includes the first repository mining study on the Hugging Face Hub API on carbon emissions. This study seeks to answer two research questions: (1) how do ML model creators measure and report carbon emissions on Hugging Face Hub?, and (2) what aspects impact the carbon emissions of training ML models? The study yielded several key findings. These include a stalled proportion of carbon emissions-reporting models, a slight decrease in reported carbon footprint on Hugging Face over the past 2 years, and a continued dominance of NLP as the main application domain. Furthermore, the study uncovers correlations between carbon emissions and various attributes such as model size, dataset size, and ML application domains. These results highlight the need for software measurements to improve energy reporting practices and promote carbon-efficient model development within the Hugging Face community. In response to this issue, two classifications are proposed: one for categorizing models based on their carbon emission reporting practices and another for their carbon efficiency. The aim of these classification proposals is to foster transparency and sustainable model development within the ML community.

Why does a phenomenon occur? Addressing this question is central to most scientific inquiries based on empirical observations, and often heavily relies on simulations of scientific models. As models become more intricate, deciphering the causes behind these phenomena in high-dimensional spaces of interconnected variables becomes increasingly challenging. Causal machine learning may assist scientists in the discovery of relevant and interpretable patterns of causation in simulations. We introduce Targeted Causal Reduction (TCR), a method for turning complex models into a concise set of causal factors that explain a specific target phenomenon. We derive an information theoretic objective to learn TCR from interventional data or simulations and propose algorithms to optimize this objective efficiently. TCR's ability to generate interpretable high-level explanations from complex models is demonstrated on toy and mechanical systems, illustrating its potential to assist scientists in the study of complex phenomena in a broad range of disciplines.

Deep learning succeeds by doing hierarchical feature learning, yet tuning Hyper-Parameters (HP) such as initialization scales, learning rates etc., only give indirect control over this behavior. In this paper, we propose the alignment between the feature updates and the backward pass as a key notion to predict, measure and control feature learning. On the one hand, we show that when alignment holds, the magnitude of feature updates after one SGD step is related to the magnitude of the forward and backward passes by a simple and general formula. This leads to techniques to automatically adjust HPs (initialization scales and learning rates) at initialization and throughout training to attain a desired feature learning behavior. On the other hand, we show that, at random initialization, this alignment is determined by the spectrum of a certain kernel, and that well-conditioned layer-to-layer Jacobians (aka dynamical isometry) implies alignment. Finally, we investigate ReLU MLPs and ResNets in the large width-then-depth limit. Combining hints from random matrix theory and numerical experiments, we show that (i) in MLP with iid initializations, alignment degenerates with depth, making it impossible to start training, and that (ii) in ResNets, the branch scale $1/\sqrt{\text{depth}}$ is the only one maintaining non-trivial alignment at infinite depth.

In this paper we tackle the problem of generating conformers of a molecule in 3D space given its molecular graph. We parameterize these conformers as continuous functions that map elements from the molecular graph to points in 3D space. We then formulate the problem of learning to generate conformers as learning a distribution over these functions using a diffusion generative model, called Molecular Conformer Fields (MCF). Our approach is simple and scalable, and achieves state-of-the-art performance on challenging molecular conformer generation benchmarks while making no assumptions about the explicit structure of molecules (e.g. modeling torsional angles). MCF represents an advance in extending diffusion models to handle complex scientific problems in a conceptually simple, scalable and effective manner.

Model sparsification in deep learning promotes simpler, more interpretable models with fewer parameters. This not only reduces the model's memory footprint and computational needs but also shortens inference time. This work focuses on creating sparse models optimized for multiple tasks with fewer parameters. These parsimonious models also possess the potential to match or outperform dense models in terms of performance. In this work, we introduce channel-wise l1/l2 group sparsity in the shared convolutional layers parameters (or weights) of the multi-task learning model. This approach facilitates the removal of extraneous groups i.e., channels (due to l1 regularization) and also imposes a penalty on the weights, further enhancing the learning efficiency for all tasks (due to l2 regularization). We analyzed the results of group sparsity in both single-task and multi-task settings on two widely-used Multi-Task Learning (MTL) datasets: NYU-v2 and CelebAMask-HQ. On both datasets, which consist of three different computer vision tasks each, multi-task models with approximately 70% sparsity outperform their dense equivalents. We also investigate how changing the degree of sparsification influences the model's performance, the overall sparsity percentage, the patterns of sparsity, and the inference time.

Virtually all machine learning tasks are characterized using some form of loss function, and "good performance" is typically stated in terms of a sufficiently small average loss, taken over the random draw of test data. While optimizing for performance on average is intuitive, convenient to analyze in theory, and easy to implement in practice, such a choice brings about trade-offs. In this work, we survey and introduce a wide variety of non-traditional criteria used to design and evaluate machine learning algorithms, place the classical paradigm within the proper historical context, and propose a view of learning problems which emphasizes the question of "what makes for a desirable loss distribution?" in place of tacit use of the expected loss.

ZX-diagrams are a powerful graphical language for the description of quantum processes with applications in fundamental quantum mechanics, quantum circuit optimization, tensor network simulation, and many more. The utility of ZX-diagrams relies on a set of local transformation rules that can be applied to them without changing the underlying quantum process they describe. These rules can be exploited to optimize the structure of ZX-diagrams for a range of applications. However, finding an optimal sequence of transformation rules is generally an open problem. In this work, we bring together ZX-diagrams with reinforcement learning, a machine learning technique designed to discover an optimal sequence of actions in a decision-making problem and show that a trained reinforcement learning agent can significantly outperform other optimization techniques like a greedy strategy or simulated annealing. The use of graph neural networks to encode the policy of the agent enables generalization to diagrams much bigger than seen during the training phase.

This paper introduces SCOPE-RL, a comprehensive open-source Python software designed for offline reinforcement learning (offline RL), off-policy evaluation (OPE), and selection (OPS). Unlike most existing libraries that focus solely on either policy learning or evaluation, SCOPE-RL seamlessly integrates these two key aspects, facilitating flexible and complete implementations of both offline RL and OPE processes. SCOPE-RL put particular emphasis on its OPE modules, offering a range of OPE estimators and robust evaluation-of-OPE protocols. This approach enables more in-depth and reliable OPE compared to other packages. For instance, SCOPE-RL enhances OPE by estimating the entire reward distribution under a policy rather than its mere point-wise expected value. Additionally, SCOPE-RL provides a more thorough evaluation-of-OPE by presenting the risk-return tradeoff in OPE results, extending beyond mere accuracy evaluations in existing OPE literature. SCOPE-RL is designed with user accessibility in mind. Its user-friendly APIs, comprehensive documentation, and a variety of easy-to-follow examples assist researchers and practitioners in efficiently implementing and experimenting with various offline RL methods and OPE estimators, tailored to their specific problem contexts. The documentation of SCOPE-RL is available at https://scope-rl.readthedocs.io/en/latest/.

Many approaches for optimizing decision making systems rely on gradient based methods requiring informative feedback from the environment. However, in the case where such feedback is sparse or uninformative, such approaches may result in poor performance. Derivative-free approaches such as Bayesian Optimization mitigate the dependency on the quality of gradient feedback, but are known to scale poorly in the high-dimension setting of complex decision making systems. This problem is exacerbated if the system requires interactions between several actors cooperating to accomplish a shared goal. To address the dimensionality challenge, we propose a compact multi-layered architecture modeling the dynamics of actor interactions through the concept of role. Additionally, we introduce Hessian-aware Bayesian Optimization to efficiently optimize the multi-layered architecture parameterized by a large number of parameters. Experimental results demonstrate that our method (HA-GP-UCB) works effectively on several benchmarks under resource constraints and malformed feedback settings.

Temporal Difference (TD) algorithms are widely used in Deep Reinforcement Learning (RL). Their performance is heavily influenced by the size of the neural network. While in supervised learning, the regime of over-parameterization and its benefits are well understood, the situation in RL is much less clear. In this paper, we present a theoretical analysis of the influence of network size and $l_2$-regularization on performance. We identify the ratio between the number of parameters and the number of visited states as a crucial factor and define over-parameterization as the regime when it is larger than one. Furthermore, we observe a double descent phenomenon, i.e., a sudden drop in performance around the parameter/state ratio of one. Leveraging random features and the lazy training regime, we study the regularized Least-Square Temporal Difference (LSTD) algorithm in an asymptotic regime, as both the number of parameters and states go to infinity, maintaining a constant ratio. We derive deterministic limits of both the empirical and the true Mean-Square Bellman Error (MSBE) that feature correction terms responsible for the double-descent. Correction terms vanish when the $l_2$-regularization is increased or the number of unvisited states goes to zero. Numerical experiments with synthetic and small real-world environments closely match the theoretical predictions.

The intra- and inter-species genetic diversity of bacteria and the absence of 'reference', or the most representative, sequences of individual species present a significant challenge for sequence-based identification. The aims of this study were to determine the utility, and compare the performance of several clustering and classification algorithms to identify the species of 364 sequences of 16S rRNA gene with a defined species in GenBank, and 110 sequences of 16S rRNA gene with no defined species, all within the genus Nocardia. A total of 364 16S rRNA gene sequences of Nocardia species were studied. In addition, 110 16S rRNA gene sequences assigned only to the Nocardia genus level at the time of submission to GenBank were used for machine learning classification experiments. Different clustering algorithms were compared with a novel algorithm or the linear mapping (LM) of the distance matrix. Principal Components Analysis was used for the dimensionality reduction and visualization. Results: The LM algorithm achieved the highest performance and classified the set of 364 16S rRNA sequences into 80 clusters, the majority of which (83.52%) corresponded with the original species. The most representative 16S rRNA sequences for individual Nocardia species have been identified as 'centroids' in respective clusters from which the distances to all other sequences were minimized; 110 16S rRNA gene sequences with identifications recorded only at the genus level were classified using machine learning methods. Simple kNN machine learning demonstrated the highest performance and classified Nocardia species sequences with an accuracy of 92.7% and a mean frequency of 0.578.

Though LLMs are capable of generating plausible programs, it's challenging to interact with the LLMs further to revise the program, especially if the user's specific requirements are different from the initial proposal. In this paper, we introduce ANPL, an interactive programming system that ensures users can always refine the generated code towards their specific programmatic intents via structured decompositions. Borrowing the paradigm of sketching from program synthesis, an ANPL program consists of a set of input-outputs that it must satisfy, a ``sketch'' -- control/data flow expressed in precise code (e.g. Python), and ``holes'' -- sub-modules to be implemented by the LLM specified with natural language. The user revises an ANPL program by either modifying the sketch, changing the language used to describe the holes, or providing additional input-outputs to a particular hole, turning it into a sub-ANPL program that can be solved recursively. This workflow allows the users to offload programming burdens to the LLM as much as possible while retaining the ability to pinpoint and resolve bugs locally, without exposing the rest of the program to the LLM. We deploy ANPL on the Abstraction and Reasoning Corpus (ARC), a set of unique tasks that are challenging for state-of-the-art AI systems, showing it outperforms baseline programming systems that (a) without the ability to decompose tasks interactively and (b) without the guarantee that the modules can be correctly composed together. Additional evaluations on APPS, HumanEval, and real-world programming tasks have validated that the ANPL framework is applicable to multiple programming domains. We release the ANPL solutions to the ARC tasks as a dataset, providing insights into how humans decompose novel tasks programmatically. See our code at https://iprc-dip.github.io/ANPL/.

Image steganography, the practice of concealing information within another image, traditionally faces security challenges when its methods become publicly known. To counteract this, we introduce a novel private key-based image steganography technique. This approach ensures the security of hidden information, requiring a corresponding private key for access, irrespective of the public knowledge of the steganography method. We present experimental evidence demonstrating our method's effectiveness, showcasing its real-world applicability. Additionally, we identified a critical challenge in the invertible image steganography process: the transfer of non-essential, or `garbage', information from the secret to the host pipeline. To address this, we introduced the decay weight to control the information transfer, filtering out irrelevant data and enhancing the performance of image steganography. Our code is publicly accessible at https://github.com/yanghangAI/DKiS, and a practical demonstration is available at this http URL

Inference of community structure in probabilistic graphical models may not be consistent with fairness constraints when nodes have demographic attributes. Certain demographics may be over-represented in some detected communities and under-represented in others. This paper defines a novel $\ell_1$-regularized pseudo-likelihood approach for fair graphical model selection. In particular, we assume there is some community or clustering structure in the true underlying graph, and we seek to learn a sparse undirected graph and its communities from the data such that demographic groups are fairly represented within the communities. In the case when the graph is known a priori, we provide a convex semidefinite programming approach for fair community detection. We establish the statistical consistency of the proposed method for both a Gaussian graphical model and an Ising model for, respectively, continuous and binary data, proving that our method can recover the graphs and their fair communities with high probability.

Why does a phenomenon occur? Addressing this question is central to most scientific inquiries based on empirical observations, and often heavily relies on simulations of scientific models. As models become more intricate, deciphering the causes behind these phenomena in high-dimensional spaces of interconnected variables becomes increasingly challenging. Causal machine learning may assist scientists in the discovery of relevant and interpretable patterns of causation in simulations. We introduce Targeted Causal Reduction (TCR), a method for turning complex models into a concise set of causal factors that explain a specific target phenomenon. We derive an information theoretic objective to learn TCR from interventional data or simulations and propose algorithms to optimize this objective efficiently. TCR's ability to generate interpretable high-level explanations from complex models is demonstrated on toy and mechanical systems, illustrating its potential to assist scientists in the study of complex phenomena in a broad range of disciplines.

Temporal Difference (TD) algorithms are widely used in Deep Reinforcement Learning (RL). Their performance is heavily influenced by the size of the neural network. While in supervised learning, the regime of over-parameterization and its benefits are well understood, the situation in RL is much less clear. In this paper, we present a theoretical analysis of the influence of network size and $l_2$-regularization on performance. We identify the ratio between the number of parameters and the number of visited states as a crucial factor and define over-parameterization as the regime when it is larger than one. Furthermore, we observe a double descent phenomenon, i.e., a sudden drop in performance around the parameter/state ratio of one. Leveraging random features and the lazy training regime, we study the regularized Least-Square Temporal Difference (LSTD) algorithm in an asymptotic regime, as both the number of parameters and states go to infinity, maintaining a constant ratio. We derive deterministic limits of both the empirical and the true Mean-Square Bellman Error (MSBE) that feature correction terms responsible for the double-descent. Correction terms vanish when the $l_2$-regularization is increased or the number of unvisited states goes to zero. Numerical experiments with synthetic and small real-world environments closely match the theoretical predictions.

The rise of machine learning (ML) systems has exacerbated their carbon footprint due to increased capabilities and model sizes. However, there is scarce knowledge on how the carbon footprint of ML models is actually measured, reported, and evaluated. In light of this, the paper aims to analyze the measurement of the carbon footprint of 1,417 ML models and associated datasets on Hugging Face, which is the most popular repository for pretrained ML models. The goal is to provide insights and recommendations on how to report and optimize the carbon efficiency of ML models. The study includes the first repository mining study on the Hugging Face Hub API on carbon emissions. This study seeks to answer two research questions: (1) how do ML model creators measure and report carbon emissions on Hugging Face Hub?, and (2) what aspects impact the carbon emissions of training ML models? The study yielded several key findings. These include a stalled proportion of carbon emissions-reporting models, a slight decrease in reported carbon footprint on Hugging Face over the past 2 years, and a continued dominance of NLP as the main application domain. Furthermore, the study uncovers correlations between carbon emissions and various attributes such as model size, dataset size, and ML application domains. These results highlight the need for software measurements to improve energy reporting practices and promote carbon-efficient model development within the Hugging Face community. In response to this issue, two classifications are proposed: one for categorizing models based on their carbon emission reporting practices and another for their carbon efficiency. The aim of these classification proposals is to foster transparency and sustainable model development within the ML community.

This manuscript enriches the framework of continuous normalizing flows (CNFs) within causal inference, primarily to augment the geometric properties of parametric submodels used in targeted maximum likelihood estimation (TMLE). By introducing an innovative application of CNFs, we construct a refined series of parametric submodels that enable a directed interpolation between the prior distribution $p_0$ and the empirical distribution $p_1$. This proposed methodology serves to optimize the semiparametric efficiency bound in causal inference by orchestrating CNFs to align with Wasserstein gradient flows. Our approach not only endeavors to minimize the mean squared error in the estimation but also imbues the estimators with geometric sophistication, thereby enhancing robustness against misspecification. This robustness is crucial, as it alleviates the dependence on the standard $n^{\frac{1}{4}}$ rate for a doubly-robust perturbation direction in TMLE. By incorporating robust optimization principles and differential geometry into the estimators, the developed geometry-aware CNFs represent a significant advancement in the pursuit of doubly robust causal inference.

Accuracy and interpretability of a (non-life) insurance pricing model are essential qualities to ensure fair and transparent premiums for policy-holders, that reflect their risk. In recent years, the classification and regression trees (CARTs) and their ensembles have gained popularity in the actuarial literature, since they offer good prediction performance and are relatively easily interpretable. In this paper, we introduce Bayesian CART models for insurance pricing, with a particular focus on claims frequency modelling. Additionally to the common Poisson and negative binomial (NB) distributions used for claims frequency, we implement Bayesian CART for the zero-inflated Poisson (ZIP) distribution to address the difficulty arising from the imbalanced insurance claims data. To this end, we introduce a general MCMC algorithm using data augmentation methods for posterior tree exploration. We also introduce the deviance information criterion (DIC) for the tree model selection. The proposed models are able to identify trees which can better classify the policy-holders into risk groups. Some simulations and real insurance data will be discussed to illustrate the applicability of these models.

Active Learning has received significant attention in the field of machine learning for its potential in selecting the most informative samples for labeling, thereby reducing data annotation costs. However, we show that the reported lifts in recent literature generalize poorly to other domains leading to an inconclusive landscape in Active Learning research. Furthermore, we highlight overlooked problems for reproducing AL experiments that can lead to unfair comparisons and increased variance in the results. This paper addresses these issues by providing an Active Learning framework for a fair comparison of algorithms across different tasks and domains, as well as a fast and performant oracle algorithm for evaluation. To the best of our knowledge, we propose the first AL benchmark that tests algorithms in 3 major domains: Tabular, Image, and Text. We report empirical results for 6 widely used algorithms on 7 real-world and 2 synthetic datasets and aggregate them into a domain-specific ranking of AL algorithms.  ( 2 min )

The problem of online change point detection is to detect abrupt changes in properties of time series, ideally as soon as possible after those changes occur. Existing work on online change point detection either assumes i.i.d data, focuses on asymptotic analysis, does not present theoretical guarantees on the trade-off between detection accuracy and detection delay, or is only suitable for detecting single change points. In this work, we study the online change point detection problem for linear dynamical systems with unknown dynamics, where the data exhibits temporal correlations and the system could have multiple change points. We develop a data-dependent threshold that can be used in our test that allows one to achieve a pre-specified upper bound on the probability of making a false alarm. We further provide a finite-sample-based bound for the probability of detecting a change point. Our bound demonstrates how parameters used in our algorithm affect the detection probability and delay, and provides guidance on the minimum required time between changes to guarantee detection.  ( 2 min )

This study addresses the issue of balancing graph summarization and graph change detection. Graph summarization compresses large-scale graphs into a smaller scale. However, the question remains: To what extent should the original graph be compressed? This problem is solved from the perspective of graph change detection, aiming to detect statistically significant changes using a stream of summary graphs. If the compression rate is extremely high, important changes can be ignored, whereas if the compression rate is extremely low, false alarms may increase with more memory. This implies that there is a trade-off between compression rate in graph summarization and accuracy in change detection. We propose a novel quantitative methodology to balance this trade-off to simultaneously realize reliable graph summarization and change detection. We introduce a probabilistic structure of hierarchical latent variable model into a graph, thereby designing a parameterized summary graph on the basis of the minimum description length principle. The parameter specifying the summary graph is then optimized so that the accuracy of change detection is guaranteed to suppress Type I error probability (probability of raising false alarms) to be less than a given confidence level. First, we provide a theoretical framework for connecting graph summarization with change detection. Then, we empirically demonstrate its effectiveness on synthetic and real datasets.  ( 2 min )

Dynamic Sparse Training (DST) is a rapidly evolving area of research that seeks to optimize the sparse initialization of a neural network by adapting its topology during training. It has been shown that under specific conditions, DST is able to outperform dense models. The key components of this framework are the pruning and growing criteria, which are repeatedly applied during the training process to adjust the network's sparse connectivity. While the growing criterion's impact on DST performance is relatively well studied, the influence of the pruning criterion remains overlooked. To address this issue, we design and perform an extensive empirical analysis of various pruning criteria to better understand their impact on the dynamics of DST solutions. Surprisingly, we find that most of the studied methods yield similar results. The differences become more significant in the low-density regime, where the best performance is predominantly given by the simplest technique: magnitude-based pruning. The code is provided at https://github.com/alooow/fantastic_weights_paper  ( 2 min )

Machine learning algorithms are heavily relied on to understand the vast amounts of data from high-energy particle collisions at the CERN Large Hadron Collider (LHC). The data from such collision events can naturally be represented with graph structures. Therefore, deep geometric methods, such as graph neural networks (GNNs), have been leveraged for various data analysis tasks in high-energy physics. One typical task is jet tagging, where jets are viewed as point clouds with distinct features and edge connections between their constituent particles. The increasing size and complexity of the LHC particle datasets, as well as the computational models used for their analysis, greatly motivate the development of alternative fast and efficient computational paradigms such as quantum computation. In addition, to enhance the validity and robustness of deep networks, one can leverage the fundamental symmetries present in the data through the use of invariant inputs and equivariant layers. In this paper, we perform a fair and comprehensive comparison between classical graph neural networks (GNNs) and equivariant graph neural networks (EGNNs) and their quantum counterparts: quantum graph neural networks (QGNNs) and equivariant quantum graph neural networks (EQGNN). The four architectures were benchmarked on a binary classification task to classify the parton-level particle initiating the jet. Based on their AUC scores, the quantum networks were shown to outperform the classical networks. However, seeing the computational advantage of the quantum networks in practice may have to wait for the further development of quantum technology and its associated APIs.  ( 3 min )

Analyzing large-scale time-series network data, such as social media and email communications, poses a significant challenge in understanding social dynamics, detecting anomalies, and predicting trends. In particular, the scalability of graph analysis is a critical hurdle impeding progress in large-scale downstream inference. To address this challenge, we introduce a temporal encoder embedding method. This approach leverages ground-truth or estimated vertex labels, enabling an efficient embedding of large-scale graph data and the processing of billions of edges within minutes. Furthermore, this embedding unveils a temporal dynamic statistic capable of detecting communication pattern shifts across all levels, ranging from individual vertices to vertex communities and the overall graph structure. We provide theoretical support to confirm its soundness under random graph models, and demonstrate its numerical advantages in capturing evolving communities and identifying outliers. Finally, we showcase the practical application of our approach by analyzing an anonymized time-series communication network from a large organization spanning 2019-2020, enabling us to assess the impact of Covid-19 on workplace communication patterns.  ( 3 min )

We introduce the sparse modern Hopfield model as a sparse extension of the modern Hopfield model. Like its dense counterpart, the sparse modern Hopfield model equips a memory-retrieval dynamics whose one-step approximation corresponds to the sparse attention mechanism. Theoretically, our key contribution is a principled derivation of a closed-form sparse Hopfield energy using the convex conjugate of the sparse entropic regularizer. Building upon this, we derive the sparse memory retrieval dynamics from the sparse energy function and show its one-step approximation is equivalent to the sparse-structured attention. Importantly, we provide a sparsity-dependent memory retrieval error bound which is provably tighter than its dense analog. The conditions for the benefits of sparsity to arise are therefore identified and discussed. In addition, we show that the sparse modern Hopfield model maintains the robust theoretical properties of its dense counterpart, including rapid fixed point convergence and exponential memory capacity. Empirically, we use both synthetic and real-world datasets to demonstrate that the sparse Hopfield model outperforms its dense counterpart in many situations.  ( 2 min )

In the pharmaceutical industry, the use of artificial intelligence (AI) has seen consistent growth over the past decade. This rise is attributed to major advancements in statistical machine learning methodologies, computational capabilities and the increased availability of large datasets. AI techniques are applied throughout different stages of drug development, ranging from drug discovery to post-marketing benefit-risk assessment. Kolluri et al. provided a review of several case studies that span these stages, featuring key applications such as protein structure prediction, success probability estimation, subgroup identification, and AI-assisted clinical trial monitoring. From a regulatory standpoint, there was a notable uptick in submissions incorporating AI components in 2021. The most prevalent therapeutic areas leveraging AI were oncology (27%), psychiatry (15%), gastroenterology (12%), and neurology (11%). The paradigm of personalized or precision medicine has gained significant traction in recent research, partly due to advancements in AI techniques \cite{hamburg2010path}. This shift has had a transformative impact on the pharmaceutical industry. Departing from the traditional "one-size-fits-all" model, personalized medicine incorporates various individual factors, such as environmental conditions, lifestyle choices, and health histories, to formulate customized treatment plans. By utilizing sophisticated machine learning algorithms, clinicians and researchers are better equipped to make informed decisions in areas such as disease prevention, diagnosis, and treatment selection, thereby optimizing health outcomes for each individual.  ( 2 min )

This paper studies the one-shot behavior of no-regret algorithms for stochastic bandits. Although many algorithms are known to be asymptotically optimal with respect to the expected regret, over a single run, their pseudo-regret seems to follow one of two tendencies: it is either smooth or bumpy. To measure this tendency, we introduce a new notion: the sliding regret, that measures the worst pseudo-regret over a time-window of fixed length sliding to infinity. We show that randomized methods (e.g. Thompson Sampling and MED) have optimal sliding regret, while index policies, although possibly asymptotically optimal for the expected regret, have the worst possible sliding regret under regularity conditions on their index (e.g. UCB, UCB-V, KL-UCB, MOSS, IMED etc.). We further analyze the average bumpiness of the pseudo-regret of index policies via the regret of exploration, that we show to be suboptimal as well.  ( 2 min )

Online active learning is a paradigm in machine learning that aims to select the most informative data points to label from a data stream. The problem of minimizing the cost associated with collecting labeled observations has gained a lot of attention in recent years, particularly in real-world applications where data is only available in an unlabeled form. Annotating each observation can be time-consuming and costly, making it difficult to obtain large amounts of labeled data. To overcome this issue, many active learning strategies have been proposed in the last decades, aiming to select the most informative observations for labeling in order to improve the performance of machine learning models. These approaches can be broadly divided into two categories: static pool-based and stream-based active learning. Pool-based active learning involves selecting a subset of observations from a closed pool of unlabeled data, and it has been the focus of many surveys and literature reviews. However, the growing availability of data streams has led to an increase in the number of approaches that focus on online active learning, which involves continuously selecting and labeling observations as they arrive in a stream. This work aims to provide an overview of the most recently proposed approaches for selecting the most informative observations from data streams in real time. We review the various techniques that have been proposed and discuss their strengths and limitations, as well as the challenges and opportunities that exist in this area of research.  ( 3 min )

Existing statistical methods for compositional data analysis are inadequate for many modern applications for two reasons. First, modern compositional datasets, for example in microbiome research, display traits such as high-dimensionality and sparsity that are poorly modelled with traditional approaches. Second, assessing -- in an unbiased way -- how summary statistics of a composition (e.g., racial diversity) affect a response variable is not straightforward. In this work, we propose a framework based on hypothetical data perturbations that addresses both issues. Unlike existing methods for compositional data, we do not transform the data and instead use perturbations to define interpretable statistical functionals on the compositions themselves, which we call average perturbation effects. These average perturbation effects, which can be employed in many applications, naturally account for confounding that biases frequently used marginal dependence analyses. We show how average perturbation effects can be estimated efficiently by deriving a perturbation-dependent reparametrization and applying semiparametric estimation techniques. We analyze the proposed estimators empirically on simulated data and demonstrate advantages over existing techniques on US census and microbiome data. For all proposed estimators, we provide confidence intervals with uniform asymptotic coverage guarantees.  ( 2 min )

Mixed linear regression (MLR) is a powerful model for characterizing nonlinear relationships by utilizing a mixture of linear regression sub-models. The identification of MLR is a fundamental problem, where most of the existing results focus on offline algorithms, rely on independent and identically distributed (i.i.d) data assumptions, and provide local convergence results only. This paper investigates the online identification and data clustering problems for two basic classes of MLRs, by introducing two corresponding new online identification algorithms based on the expectation-maximization (EM) principle. It is shown that both algorithms will converge globally without resorting to the traditional i.i.d data assumptions. The main challenge in our investigation lies in the fact that the gradient of the maximum likelihood function does not have a unique zero, and a key step in our analysis is to establish the stability of the corresponding differential equation in order to apply the celebrated Ljung's ODE method. It is also shown that the within-cluster error and the probability that the new data is categorized into the correct cluster are asymptotically the same as those in the case of known parameters. Finally, numerical simulations are provided to verify the effectiveness of our online algorithms.  ( 2 min )

Prior works have shown that semi-supervised learning algorithms can leverage unlabeled data to improve over the labeled sample complexity of supervised learning (SL) algorithms. However, existing theoretical analyses focus on regimes where the unlabeled data is sufficient to learn a good decision boundary using unsupervised learning (UL) alone. This begs the question: Can SSL algorithms simultaneously improve upon both UL and SL? To this end, we derive a tight lower bound for 2-Gaussian mixture models that explicitly depends on the labeled and the unlabeled dataset size as well as the signal-to-noise ratio of the mixture distribution. Surprisingly, our result implies that no SSL algorithm can improve upon the minimax-optimal statistical error rates of SL or UL algorithms for these distributions. Nevertheless, we show empirically on real-world data that SSL algorithms can still outperform UL and SL methods. Therefore, our work suggests that, while proving performance gains for SSL algorithms is possible, it requires careful tracking of constants.  ( 2 min )

Interpretable policy learning seeks to estimate intelligible decision policies from observed actions; however, existing models fall short by forcing a tradeoff between accuracy and interpretability. This tradeoff limits data-driven interpretations of human decision-making process. e.g. to audit medical decisions for biases and suboptimal practices, we require models of decision processes which provide concise descriptions of complex behaviors. Fundamentally, existing approaches are burdened by this tradeoff because they represent the underlying decision process as a universal policy, when in fact human decisions are dynamic and can change drastically with contextual information. Thus, we propose Contextualized Policy Recovery (CPR), which re-frames the problem of modeling complex decision processes as a multi-task learning problem in which complex decision policies are comprised of context-specific policies. CPR models each context-specific policy as a linear observation-to-action mapping, and generates new decision models $\textit{on-demand}$ as contexts are updated with new observations. CPR is compatible with fully offline and partially observable decision environments, and can be tailored to incorporate any recurrent black-box model or interpretable decision model. We assess CPR through studies on simulated and real data, achieving state-of-the-art performance on the canonical tasks of predicting antibiotic prescription in intensive care units ($+22\%$ AUROC vs. previous SOTA) and predicting MRI prescription for Alzheimer's patients ($+7.7\%$ AUROC vs. previous SOTA). With this improvement in predictive performance, CPR closes the accuracy gap between interpretable and black-box methods for policy learning, allowing high-resolution exploration and analysis of context-specific decision models.  ( 3 min )

Lipschitz continuity is a crucial functional property of any predictive model, that naturally governs its robustness, generalisation, as well as adversarial vulnerability. Contrary to other works that focus on obtaining tighter bounds and developing different practical strategies to enforce certain Lipschitz properties, we aim to thoroughly examine and characterise the Lipschitz behaviour of Neural Networks. Thus, we carry out an empirical investigation in a range of different settings (namely, architectures, datasets, label noise, and more) by exhausting the limits of the simplest and the most general lower and upper bounds. As a highlight of this investigation, we showcase a remarkable fidelity of the lower Lipschitz bound, identify a striking Double Descent trend in both upper and lower bounds to the Lipschitz and explain the intriguing effects of label noise on function smoothness and generalisation.  ( 2 min )

The Fermat distance has been recently established as a useful tool for machine learning tasks when a natural distance is not directly available to the practitioner or to improve the results given by Euclidean distances by exploding the geometrical and statistical properties of the dataset. This distance depends on a parameter $\alpha$ that greatly impacts the performance of subsequent tasks. Ideally, the value of $\alpha$ should be large enough to navigate the geometric intricacies inherent to the problem. At the same, it should remain restrained enough to sidestep any deleterious ramifications stemming from noise during the process of distance estimation. We study both theoretically and through simulations how to select this parameter.  ( 2 min )

Virtually all machine learning tasks are characterized using some form of loss function, and "good performance" is typically stated in terms of a sufficiently small average loss, taken over the random draw of test data. While optimizing for performance on average is intuitive, convenient to analyze in theory, and easy to implement in practice, such a choice brings about trade-offs. In this work, we survey and introduce a wide variety of non-traditional criteria used to design and evaluate machine learning algorithms, place the classical paradigm within the proper historical context, and propose a view of learning problems which emphasizes the question of "what makes for a desirable loss distribution?" in place of tacit use of the expected loss.  ( 2 min )

Our work presents a novel approach to shape optimization, with the twofold objective to improve the efficiency of global optimization algorithms while promoting the generation of high-quality designs during the optimization process free of geometrical anomalies. This is accomplished by reducing the number of the original design variables defining a new reduced subspace where the geometrical variance is maximized and modeling the underlying generative process of the data via probabilistic linear latent variable models such as factor analysis and probabilistic principal component analysis. We show that the data follows approximately a Gaussian distribution when the shape modification method is linear and the design variables are sampled uniformly at random, due to the direct application of the central limit theorem. The degree of anomalousness is measured in terms of Mahalanobis distance, and the paper demonstrates that abnormal designs tend to exhibit a high value of this metric. This enables the definition of a new optimization model where anomalous geometries are penalized and consequently avoided during the optimization loop. The procedure is demonstrated for hull shape optimization of the DTMB 5415 model, extensively used as an international benchmark for shape optimization problems. The global optimization routine is carried out using Bayesian optimization and the DIRECT algorithm. From the numerical results, the new framework improves the convergence of global optimization algorithms, while only designs with high-quality geometrical features are generated through the optimization routine thereby avoiding the wastage of precious computationally expensive simulations.  ( 3 min )

This paper presents a comprehensive comparative analysis of the performance of Equivariant Quantum Neural Networks (EQNN) and Quantum Neural Networks (QNN), juxtaposed against their classical counterparts: Equivariant Neural Networks (ENN) and Deep Neural Networks (DNN). We evaluate the performance of each network with two toy examples for a binary classification task, focusing on model complexity (measured by the number of parameters) and the size of the training data set. Our results show that the $\mathbb{Z}_2\times \mathbb{Z}_2$ EQNN and the QNN provide superior performance for smaller parameter sets and modest training data samples.  ( 2 min )

The variational lower bound (a.k.a. ELBO or free energy) is the central objective for many established as well as many novel algorithms for unsupervised learning. Learning algorithms change model parameters such that the variational lower bound increases. Learning usually proceeds until parameters have converged to values close to a stationary point of the learning dynamics. In this purely theoretical contribution, we show that (for a very large class of generative models) the variational lower bound is at all stationary points of learning equal to a sum of entropies. For standard machine learning models with one set of latents and one set observed variables, the sum consists of three entropies: (A) the (average) entropy of the variational distributions, (B) the negative entropy of the model's prior distribution, and (C) the (expected) negative entropy of the observable distributions. The obtained result applies under realistic conditions including: finite numbers of data points, at any stationary points (including saddle points) and for any family of (well behaved) variational distributions. The class of generative models for which we show the equality to entropy sums contains many well-known generative models. As concrete examples we discuss Sigmoid Belief Networks, probabilistic PCA and (Gaussian and non-Gaussian) mixture models. The results also apply for standard (Gaussian) variational autoencoders, which has been shown in parallel (Damm et al., 2023). The prerequisites we use to show equality to entropy sums are relatively mild. Concretely, the distributions of a given generative model have to be of the exponential family (with constant base measure), and the model has to satisfy a parameterization criterion (which is usually fulfilled). Proving the equality of the ELBO to entropy sums at stationary points (under the stated conditions) is the main contribution of this work.  ( 3 min )

We consider the problem of efficient inference of the Average Treatment Effect in a sequential experiment where the policy governing the assignment of subjects to treatment or control can change over time. We first provide a central limit theorem for the Adaptive Augmented Inverse-Probability Weighted estimator, which is semiparametric efficient, under weaker assumptions than those previously made in the literature. This central limit theorem enables efficient inference at fixed sample sizes. We then consider a sequential inference setting, deriving both asymptotic and nonasymptotic confidence sequences that are considerably tighter than previous methods. These anytime-valid methods enable inference under data-dependent stopping times (sample sizes). Additionally, we use propensity score truncation techniques from the recent off-policy estimation literature to reduce the finite sample variance of our estimator without affecting the asymptotic variance. Empirical results demonstrate that our methods yield narrower confidence sequences than those previously developed in the literature while maintaining time-uniform error control.  ( 2 min )

Many machine learning tasks can be solved by minimizing a convex function of an occupancy measure over the policies that generate them. These include reinforcement learning, imitation learning, among others. This more general paradigm is called the Concave Utility Reinforcement Learning problem (CURL). Since CURL invalidates classical Bellman equations, it requires new algorithms. We introduce MD-CURL, a new algorithm for CURL in a finite horizon Markov decision process. MD-CURL is inspired by mirror descent and uses a non-standard regularization to achieve convergence guarantees and a simple closed-form solution, eliminating the need for computationally expensive projection steps typically found in mirror descent approaches. We then extend CURL to an online learning scenario and present Greedy MD-CURL, a new method adapting MD-CURL to an online, episode-based setting with partially unknown dynamics. Like MD-CURL, the online version Greedy MD-CURL benefits from low computational complexity, while guaranteeing sub-linear or even logarithmic regret, depending on the level of information available on the underlying dynamics.  ( 2 min )

I know bark has the option to add ♪ and it will sort of create a song with the given lyrics, is there anything better than that that runs locally? submitted by /u/iChrist [link] [comments]  ( 9 min )

We have a reading club every Friday called Arxiv Dives where we go over the fundamentals of a lot of the state of the art techniques used in Machine Learning today. Last week we dove into the "Vision Transformers" Paper from 2021 where the Google Brain team benchmarked training large scale transformers against ResNets. Though it is not groundbreaking research as of this week, I think with the pace of AI it is important to dive deep into past work and what others have tried! It's nice to take a step back and review the fundamentals as well as keeping up with the latest and greatest. Posted the notes and recap here if anyone finds it helpful: https://blog.oxen.ai/arxiv-dives-vision-transformers-vit/ Also would love to have anyone join us live on Fridays! We've got a pretty consistent and fun group of 300+ engineers and researchers showing up. submitted by /u/FallMindless3563 [link] [comments]  ( 9 min )

Mac Studio Apple M2 Ultra Chip with 24‑Core CPU and 60‑Core GPU, 64 GB RAM or Mac Studio Apple M2 Max Chip with 12‑Core CPU and 38‑Core GPU, 96 GB RAM For working with LLM. What would you do? submitted by /u/breadandtacos [link] [comments]  ( 9 min )

Paper: https://arxiv.org/abs/2311.05241 Abstract: Over the past decade, deep neural networks have demonstrated significant success using the training scheme that involves mini-batch stochastic gradient descent on extensive datasets. Expanding upon this accomplishment, there has been a surge in research exploring the application of neural networks in other learning scenarios. One notable framework that has garnered significant attention is meta-learning. Often described as "learning to learn," meta-learning is a data-driven approach to optimize the learning algorithm. Other branches of interest are continual learning and online learning, both of which involve incrementally updating a model with streaming data. While these frameworks were initially developed independently, recent works have started investigating their combinations, proposing novel problem settings and learning algorithms. However, due to the elevated complexity and lack of unified terminology, discerning differences between the learning frameworks can be challenging even for experienced researchers. To facilitate a clear understanding, this paper provides a comprehensive survey that organizes various problem settings using consistent terminology and formal descriptions. By offering an overview of these learning paradigms, our work aims to foster further advancements in this promising area of research. https://preview.redd.it/pp2j7tz2dr3c1.png?width=1249&format=png&auto=webp&s=983e081c4b4feabddb3457ba74d94202495be4a5 submitted by /u/APaperADay [link] [comments]  ( 10 min )

Hi everyone ! I am going to purchase a laptop for ML and DL as mentioned above. Currently I am at beginner phase and most of the models I made are trained online on jupiter and google collab. For me battery life matters a lot because currently I am an engineering student and the place where I study has shortage of electric ports ( Library ). But I can compromise it if goes against my productivity and work flow. My ambition is to go for MS ( research in ML and DL ) and the machine should last around 6-8 years MAX. THOSE TWO LAPTOPS ARE:- Apple Macbook Air ( M2, 16GB unified memory, 8 core CPU & 10 core GPU, 512GB SSD ) ROG Strix G15 (2022) G513 G513RW-HQ148WS These both are around the same price range where the Mac is 20K INR costlier than ROG. So yes my maximum budget is 1,50,000 INR. [link] [comments]  ( 9 min )

Sorry in advance for the wall of text. TL:DR Should I upgrade my CPU from a 3900x to a 5950x? And should I get two 3090s or a single 4090? Background: At the beginning of the year my company started offering a 6 month data science course for employees which I was lucky to participate in. I knew little about machine learning prior to the course but have since been obsessed to the point where I want to repurpose my gaming PC into a machine learning PC. I completed the course, but I'm still very much a noob so I figured I can use some advice. I want to upgrade some pieces and have a bonus coming in next month so I can spare about $3k on upgrades. Use case: All of my machine learning projects have been run on work servers and my work MBP, so I have no frame of reference on how training/infe…  ( 11 min )

First I want to make it clear this is not a self promotion post. I hope many machine learning people come at me with questions or comments about this project. A little background about myself. I did work on the 4 bits quantization of LLaMA using GPTQ. (https://github.com/qwopqwop200/GPTQ-for-LLaMa). I've been studying AI in-depth for many years now. Back in early 2023 I created several unique systems that can output a video like this (https://www.youtube.com/watch?v=uoEd8WykzkY) . Not that this is the best video ever, its mostly a tech demo of what it can do. I did some promotion on the system, but was mostly only able to reach bots from what I can tell. I'm not sure what to do with it. I have some creative Ideas but would like to hear if anyone is interested in the system. I put a lot of work into it and would like to see it used for something entertaining. The website for the project is basic and plain as can be right now, just a place holder and contact page really. I didn't get much of a response at all after posting a bunch of videos made by it. I think some people may confuse it with spam or whatever. A few points are: - Can be fully automated with almost no human intervention - Full HD video - A unique 3D perspective video system that produces 3D video from 2D images - Needs no internet connection - No special hardware required, can be run with a single 3090 or better. submitted by /u/mentosorangemint [link] [comments]  ( 10 min )

The data I am working has 137 samples with each having 34,765 variables (each pixel is a spectrum itself). I want to find which variable is the most significant one (IMO the most intensity/amplitude one gotta be the most significant). Once I ran PCA after normalization (dividing by the sum of a reference spectrum), the first two components explained variance ratio is 93%. Now what do I learn from the loadings of the PCA matrix which is (34765 x 10) for 10 principal components. The max absolute values of loadings should be investigated? what shall I do? submitted by /u/AnikArnab [link] [comments]  ( 9 min )

For the two people in this subreddit that haven't read the bitter lesson yet, http://www.incompleteideas.net/IncIdeas/BitterLesson.html However, as someone who is interested in robot perception, planning, and learning, does this necessarily apply? I'm not too sure, especially in the context of robots in human (unstructured) environments whose policies cover much wider in scope than say factory or warehouse robots. Robots that have to deal with the stochastic and wildly differing nature of the real world, whose policies are robust to change in its environment. I can think of a few ideas where the bitter lesson may or may not be applicable. Hardware limitations. Although offloading compute to remote servers is definitely an option, how much can robots rely on this when interacting with the environment in real time? No feasible robot would be able to store billions of parameters even just for inference. Moore's law has been slowing down for some time now. Data. This is a big one in my opinion. What even constitutes good training data for training robot policies? Do we have enough of it? Of course we have good models and enough data for CV and language, and even Toyota's paper on using diffusion models for grasp poses looks promising, but a robot policy must put all of this together to accomplish multi-modal tasks. There isn't a huge corpus for multimodal task planning, such as how to break a task such as pouring a cup of water, into an HTN with multiple sub-tasks (grasp cup, pick, pour, etc.) The reason why I make this post is because I am unsure. I could see how an LLM could be the basis for a generalized robot policy that can accomplish multiple tasks, or more efficient architectures can allow for more compute to be available to robots. What are your thoughts? submitted by /u/n0ided_ [link] [comments]  ( 10 min )

After submitting our paper to ICLR2024 and receiving initial reviews, we provided a detailed rebuttal addressing all the points raised by the reviewers. However, since our rebuttal, there has been complete silence from the reviewers' side. No further questions, comments, or engagement of any kind, dispite the initial comments were quite detailed and feedbacks are positive. In a situation like this, is it advisable to reach out to the AC to request their intervention in encouraging reviewer engagement? Has anyone been in a similar situation? What did you do? Would be greatly appreciated to any suggestion. submitted by /u/jzhoubu [link] [comments]  ( 9 min )

I recently tried running some low Q numbered Mistral 7B models on a NVIDA Jetson Nano board that has 4gb of memory with ollama. They ran but reallllly slowly. Is there any language models with reasonable performance that could run on something like a Jetson Nano for coding / analytics / data processing? submitted by /u/head_robotics [link] [comments]  ( 9 min )

Happy Friday, Really happy to share that the code and model for RETVec our new SOTA robust text tokenizer for classification is available on Github here and the NeurIPS paper here. We also provide native support for TFLite and for the web via a TFJS. Hope you will find it useful for your research. If you would like to give it a try we have a get started notebook. Let us know if you have any questions. ​ submitted by /u/ebursztein [link] [comments]  ( 9 min )

Hey r/MachineLearning! I manually derived backpropagation steps, did some chained matrix multiplication optims, wrote all kernels in OpenAI's Triton language and did more maths and coding trickery to make QLoRA finetuning for Llama 5x faster on Unsloth: https://github.com/unslothai/unsloth! Some highlights: 5x faster (5 hours to 1 hour) Use 50% less memory With 0% loss in accuracy All locally on NVIDIA GPUs (Tesla T4, RTX 20/30/40, Ampere, Hopper) for free! QLoRA / LoRA is now 80% faster to train. On Slim Orca 518K examples on 2 Tesla T4 GPUs via DDP, Unsloth trains 4bit QLoRA on all layers in 260 hours VS Huggingface's original implementation of 1301 hours. Slim Orca 1301 hours to 260 hours You might (most likely not) remember me from Hyperlearn (https://github.com/danielhanchen/hyperlearn) which I launched a few years back to make ML algos 2000x faster via maths and coding tricks. I wrote up a blog post about all the manual hand derived backprop via https://unsloth.ai/introducing. I wrote a Google Colab for T4 for Alpaca: https://colab.research.google.com/drive/1oW55fBmwzCOrBVX66RcpptL3a99qWBxb?usp=sharing which finetunes Alpaca 2x faster on a single GPU. On Kaggle via 2 Tesla T4s on DDP: https://www.kaggle.com/danielhanchen/unsloth-laion-chip2-kaggle, finetune LAION's OIG 5x faster and Slim Orca 5x faster. You can install Unsloth all locally via: pip install "unsloth[cu118] @ git+https://github.com/unslothai/unsloth.git" pip install "unsloth[cu121] @ git+https://github.com/unslothai/unsloth.git" Currently we only support Pytorch 2.1 and Linux distros - more installation instructions via https://github.com/unslothai/unsloth/blob/main/README.md I hope to: Support other LLMs other than Llama style models (Mistral etc) Add sqrt gradient checkpointing to shave another 25% of memory usage. And other tricks! Thanks a bunch!! submitted by /u/danielhanchen [link] [comments]  ( 10 min )

Meta Research just released new speech models called Seamless: https://ai.meta.com/research/seamless-communication/ It supports a TON of languages for both speech and text input AND output. In some sense it's a generalized model for a bunch of related speech tasks. Very interesting! submitted by /u/semicausal [link] [comments]  ( 9 min )

Hello, Our research group at Polytechnique Montréal (under the supervision of Prof. Foutse Khomh) is conducting a survey on “Bugs in LLMs Generated Code”. We have prepared an online survey that takes around 10 minutes of your valuable time to complete asking about the characteristics of such bugs. Snippets provided will be in Python but they require basic background in Python to be understood. Moreover, you could kindly share this survey with colleagues/students who you consider eligible to participate. At no point in the survey will we ask you for your name, and we will not be logging your IP address to allow anonymity. The results of this survey will be publicly accessible in an anonymous form. We greatly appreciate your help in doing so. If you would like to know more about this study or have any questions, feel free to contact us. The link to the survey: https://forms.gle/8kZaxsNqtb3vbFaD6 Thank you for your help. Florian Tambon ([florian-2.tambon@polymtl.ca](mailto:florian-2.tambon@polymtl.ca)), Arghavan Moradidakhel ([arghavan.moradi-dakhel@polymtl.ca](mailto:arghavan.moradi-dakhel@polymtl.ca)), Amin Nikanjam ([amin.nikanjam@polymtl.ca](mailto:amin.nikanjam@polymtl.ca)), Foutse Khomh ([foutse.khomh@polymtl.ca](mailto:foutse.khomh@polymtl.ca)) SWAT Lab., Polytechnique Montréal, http://swat.polymtl.ca/ submitted by /u/aminnikanjam [link] [comments]  ( 10 min )

I'm sitting on approximately 1000 scanned photos. Most are about 20-30yrs old so in pretty good condition. A couple are much older. I'd like to batch/automate as much as I can, then manually review orig vs processed to pick out the ones I need to work on manually. These are the issues that I would like to fix in order of prevalence in the set: Photo paper texture (ie. matte) makes it look like it is a scan vs a photo Adjustments for brightness/contrast/color etc Photos are blurry or out of focus Photo is damaged (torn, wrinkled, etc) Photo is really old (stained) I'd like to batch process as much as possible. Not exactly sure how to do #1, #2 can be done by alot of software with their "auto adjust" settings. I'm thinking maybe Irfanview? or Photoshop? Not sure what other tools there are. There are some machine learning or neural networks models out there that can fix #3-5 and maybe #1-2. However many are focus on the face and some go way too far and basically replace the face so it looks super fake. Just looking through gitlab there are alot of option. The one I've tested the mots is https://github.com/microsoft/Bringing-Old-Photos-Back-to-Life Then there are all the random "AI" websites. Ideally, I'd like super old photos to be restored to look like they did when they were first taken. Less old photos (ie. 90's) I'd like to restore to look like they were taken today. At least that's the goal. Is there a comparison somewhere? Also, in this same vein, I'd be curious if there are any tools that are good to use on general photos taken on a phone to "optimize" them. For example, I use to run them all through a noise filter to make them look clearer. ​ To summarize, I know there are alot of projects out there. I'm curious if there is a comparison out there so I can learn about the differences or which are currently best without having to try to setup each one to compare. I'd appreciate any recommendations. submitted by /u/eng33 [link] [comments]  ( 10 min )

I've noticed a trend recently of authors adding more formalism than needed in some instances (e.g. a diagram/ image would have done the job fine). Is this such a thing as adding more mathematics than needed to make the paper look better or perhaps it's just constrained by the publisher (whatever format the paper must stick to in order to get published)? submitted by /u/Inquation [link] [comments]  ( 9 min )

I have several estimates of undirected weighted networks, i.e. weighted adjacency matrices. I use NMF to identify subnetworks / components. I understand that there are several ways to come up with the number of components to use, from simple means such as a knee-plot to more sophisticated approaches such as cross-validation with randomly removed datapoints. I have applied several methods to my set of networks and they suggest to use 5-8 components. I have an a priori idea of what two subnetworks should look like. Using 5-8 components seems to create subnetworks of the expected two subnetworks. Or two of the components represent the expected subnetworks while the remaining components look very similar to those components. If I reduce the number of components to two, then I obtain the two expected subnetworks. Is it legit to simply use two components because they match my expectation? Are there methods to merge components (e.g. merging the sub-subnetworks to the expected subnetworks) and is it legit to merge components? E.g. finding the additive combination of subnetworks that maximize correlation with an expected network? Are there methods that enforce "larger" networks? I appreciate your ideas on this! submitted by /u/dizzledk [link] [comments]  ( 10 min )

I've been a professional coder for over 10 years, backed by a degree in computer science and a touch of math and theoretical statistics. I haven't really used that stats knowledge much, so I'm just skimming the surface. Now, I'm looking to dive into machine learning. I'm not looking for an easy path, My main purpose is not to quickly land a job, I'm doing this solely for personal growth. Before diving deep into machine learning, I want to strengthen my foundations in data science, perhaps even focusing on data mining. Any book/books recommendations for this? I’m not in need of programming books, as I already know some programming languages, including Python. I came across "Introduction to Data Mining" by Pang-Ning Tan and others. Is it a good starting point? Another book I found is "An Introduction to Statistical Learning" by Gareth James. submitted by /u/lp_kalubec [link] [comments]  ( 9 min )

Hey friends! Has anyone written any code before where they freeze particular parameters in a layer of a NN? ​ I don't mean freezing particular layers of a NN, which I can successfully do (e.g.: for param in resnet18.fc.parameters(): param.requires_grad = True ​ What I mean is freezing particular parameters within a layer - by applying some sort of mask or otherwise. Edit: Also, what I am trying to do is treat some parameters of the NN as scalars -- so that gradients won't pass through them anymore. If I simply mask the gradient post hoc, e.g. loss.backward() for p, p_mask in zip(parameters, masks): p.grad *= p_mask optimizer.step() this won't accomplish this, -- isn't this right? or am I mistaken. Thanks so much! :) submitted by /u/Cultural-Average3959 [link] [comments]  ( 9 min )

I am looking for an equivalent of Stable baselines 3 but for MARL as the name suggests so that I can benchmark algorithms on my custom MARL environment. Most of the approaches mentioned utilize parameter sharing with different libraries like Tianshou, CleanRL and Stable Baselines 3 itself. Is there any other commonly used standardized baseline for differenet MARL algorithms? submitted by /u/blitzkreig3 [link] [comments]  ( 1 min )

Paper: https://arxiv.org/abs/2311.05241 Abstract: Over the past decade, deep neural networks have demonstrated significant success using the training scheme that involves mini-batch stochastic gradient descent on extensive datasets. Expanding upon this accomplishment, there has been a surge in research exploring the application of neural networks in other learning scenarios. One notable framework that has garnered significant attention is meta-learning. Often described as "learning to learn," meta-learning is a data-driven approach to optimize the learning algorithm. Other branches of interest are continual learning and online learning, both of which involve incrementally updating a model with streaming data. While these frameworks were initially developed independently, recent works have started investigating their combinations, proposing novel problem settings and learning algorithms. However, due to the elevated complexity and lack of unified terminology, discerning differences between the learning frameworks can be challenging even for experienced researchers. To facilitate a clear understanding, this paper provides a comprehensive survey that organizes various problem settings using consistent terminology and formal descriptions. By offering an overview of these learning paradigms, our work aims to foster further advancements in this promising area of research. https://preview.redd.it/ag7xaviaer3c1.png?width=1249&format=png&auto=webp&s=c4c0aa093ac20ae7f6f567c9427f9a9e76e3a7ee submitted by /u/APaperADay [link] [comments]  ( 1 min )

I'm training an RL agent in a custom environment. My environment terminates after a certain number of actions have been taken. My instinct is that when it comes to estimating state value through a value-network, the number of steps remaining should be part of the input to the value network. (Currently I do not have this as part of input.) Is this correct? Would love to hear your thoughts on this and it would be great if you could point me to any existing implementations or papers where this is done? Thank you! submitted by /u/morakorvai [link] [comments]  ( 1 min )

For example, is this created using Unity, or its own gym? https://www.youtube.com/watch?v=SsJ_AusntiU&pp=ygUncmVpbmZvcmNlbWVudCBsZWFybmluZyB0ZWFjaCBob3cgdG8gYm94 Its hard to tell from the video. What's confusing is how they are chained together, and whether or not this is possible with ML agents. I understand how to train a model to stand, but how to stand, get up, move around, and box at the same time? Is it all done from the same observations and same rewards within billions of repetitions? Or is there 1 model that learned how to stand, 1model that learned how to get up. 1 simplified model that learned how to move around. etc. And then these models are bound to each other using ragdoll physics. Essentially joints on the model that is learning are bound to the model that knows each individual motion. reason I'm asking is I'm finding unity ML agents to be a bit limited. like the motion is way too random, i get almost no growth in mean reward. are the actions supposed to improve over the course of learning or are they just randomized the whole time? even simple things like moving to target i find the agent constantly jitters and moves bath and forth randomly submitted by /u/Sharp-Cat2319 [link] [comments]  ( 1 min )

I find the ML Agents for unity is a bit dated and limiting and more geared toward game development than robotics, and I would like to create my own gyms and etc. For simple stuff like 2D games its pretty straightforward, but I would like to do some 3D robotic models and use stable baselines to actuate them, for this I would need a 3D engine that has collision and physics, as well as model/texture importing, some shading, and of course rendering. Preferably something that can render to a webgl environment too. I would assume Stable Baselines can work with any 3D Open Source engine. Is there something pretty rudimentary that someone can use with OpenAI gym to import models, add rigid body and collision parameters, etc. Or does OpenAI gym already have all of this? ​ ​ submitted by /u/Sharp-Cat2319 [link] [comments]  ( 1 min )

We are thrilled to announce our dynamic collaboration with OROBIX, creators of the advanced RL library SheepRL! 🤝💡 🌟 Why SheepRL? Seamlessly integrated into DIAMBRA, SheepRL offers a clear path to modern RL algorithms with a focus on distributed training for scalable applications. 📚 Getting Started: Explore the power of SheepRL in our official DIAMBRA documentation. Examples in source code await in the DIAMBRA Agents repository. 🚀 Swift Launchpad to RL Exploration: With just a few lines of Python, launch RL trainings on all our games—making AI exploration a breeze! 👉 Discover More with the links in the comments below! Join us in embracing the future of RL research. 🚀🤖✨ DIAMBRA x SheepRL submitted by /u/DIAMBRA_AIArena [link] [comments]  ( 1 min )

Hi everyone, I'm studying reinforcement learning now, and I'm looking for ways to speed up my learning. My plan is to be able to do good research in the field. Right now I'm looking at offline RL. Right now what helps is we have a weekly session with my fellow PhD classmates. We present new research papers we have read. I share about RL papers when it's my turn. But one issue is our topics are so diverse. One works on computer vision, one on graph neural nets, one on time series forecasting. I'm the only one doing RL. It would be great if I get to talk to more people with the same interests. For added context, I'm from the Philippines and it's very hard to get support here or groups with expertise to mentor me. It's hard to stay motivated when I feel that I'm almost alone in my learning process. Though I have a professor in the Netherlands who's helping me a lot. Do you have any suggestions on say online groups etc, that can help me learn it much faster, with potential mentorship, sharing of resources, etc? Thank you! submitted by /u/111user222 [link] [comments]  ( 1 min )

Hi, I'm a freshman and I just finished the first course of Andrew NG's 3 course specialization. In 2-3 months I'm looking forward to start working with one of my professors. I told him even though I'm not zero programming wise but I have no idea about ML, reinforcement learning, etc. and asked him to tell me what am I supposed to know before I can start work with him. He told me to check this course and learn things like numpy, pandas, scikit-learn, etc. I'm going through the specialization but I have no idea where can I apply the knowledge I gain or how can I practise? Is there a website or something like hackerrank where I can practise data science, ML algorithms and such? submitted by /u/Trevorego [link] [comments]  ( 1 min )

The ability to quickly build and deploy machine learning (ML) models is becoming increasingly important in today’s data-driven world. However, building ML models requires significant time, effort, and specialized expertise. From data collection and cleaning to feature engineering, model building, tuning, and deployment, ML projects often take months for developers to complete. And experienced data […]  ( 10 min )

Launched in 2019, Amazon SageMaker Studio provides one place for all end-to-end machine learning (ML) workflows, from data preparation, building and experimentation, training, hosting, and monitoring. As we continue to innovate to increase data science productivity, we’re excited to announce the improved SageMaker Studio experience, which allows users to select the managed Integrated Development Environment (IDE) […]  ( 6 min )

As organizations scale the adoption of machine learning (ML), they are looking for efficient and reliable ways to deploy new infrastructure and onboard teams to ML environments. One of the challenges is setting up authentication and fine-grained permissions for users based on their roles and activities. For example, MLOps engineers typically perform model deployment activities, […]  ( 8 min )

View Poll submitted by /u/Georgeo57 [link] [comments]  ( 1 min )

News provided by aibrews.com Meta AI introduced a suite of AI language translation models that preserve expression and improve streaming [Details | GitHub]: SeamlessExpressive enables the transfer of tones, emotional expression and vocal styles in speech translation. You can try a demo of SeamlessExpressive using your own voice as an input here. SeamlessStreaming, a new model that enables streaming speech-to-speech and speech-to-text translations with <2 seconds of latency and nearly the same accuracy as an offline model. In contrast to conventional systems which translate when the speaker has finished their sentence, SeamlessStreaming translates while the speaker is still talking. t intelligently decides when it has enough context to output the next translated segment. SeamlessM4T …  ( 1 min )

When AI blew up (has it been a year already?) I was all over it, jumping from one image generator to the next to see what they could do. I never really went beyond the basics, but now I am looking for an image generator that will let me upload an image and turn the person on it into something specific – for instance "make it look like this boy is conducting a philharmonic orchestra". Description of the generator I'm looking for: It should have the ability to create images with a high DPI NSFW is not a concern, I will only be generating SFW content Free (as in beer) is a plus, but not essential. If there is payment, I prefer a monthly/yearly payment (free as in speech would make me happy on a personal level) Please no Discord UI, it drives me up the wall Edit: Expanded the definition of "free" submitted by /u/1337_n00b [link] [comments]

I know what is does, but inside, what exactly is it? submitted by /u/yukiarimo [link] [comments]

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It's been a crazy year and the amount and pace of announcements has been unprecedented. What are your expectations for 2024? Here's a few that I expect to see next year. A huge race in ai personal assistants like Siri and Alexa A personalities to become a much bigger thing - conversations to partly replace doom scrolling Voice / audio being utilized much more Models getting better with less parameters Gpt's to expand and enable building ui's to build full apps conversationally. The first few AI agents that can autonomously complete goal oriented multi step tasks Easy Integration into all the major apps. More scientific breakthroughs like the DeepMind’s Materials discovery. Grok will beat gpt 4 is some ways. Rise of digital companions. Let's hear yours. *Edit. Typo in title, meant 2024 submitted by /u/zascar [link] [comments]  ( 1 min )

Has anyone seen good Watsonx material online like YouTube videos or elsewhere to help learn more about the platform, it's main pillars and various capabilities? I'm also curious if there are particular certifications for aspects of the platform. submitted by /u/tealdric [link] [comments]

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Both Bard and Gemini are from Google. Why isn’t Gemini Bard 2? Is Gemini using different base technology than Bard? Sorry I don’t know the terms submitted by /u/Acceptable_Box7598 [link] [comments]  ( 1 min )

Researchers at Google DeepMind have used artificial intelligence to predict the structures of more than 2 million new materials, in a breakthrough that could have wide-reaching benefits in sectors such as renewable energy and computing.[1] Bitmagic Launches Public Test for AI-based Game Creation Platform.[2] Meta Unveils Audiobox, A new foundation model for Custom Audio Generation.[3] Amazon announces Q, an AI chatbot for businesses.[4] Sources: [1] https://time.com/6340681/deepmind-gnome-ai-materials/ [2] https://www.prnewswire.com/news-releases/bitmagic-launches-public-test-for-ai-based-game-creation-platform-302002138.html [3] https://www.maginative.com/article/meta-unveils-audiobox-a-new-foundation-model-for-custom-audio-generation/ [4] https://www.cnbc.com/2023/11/28/amazon-announces-q-an-ai-chatbot-for-businesses.html submitted by /u/Excellent-Target-847 [link] [comments]

https://arxiv.org/pdf/2311.16452 A great read. I'll pull out the important parts. November 2023 ​ https://preview.redd.it/cyf6y5fubl3c1.png?width=1059&format=png&auto=webp&s=2a1b559ebfdd0900ab7dc84d3dc7088470b3bb2a Figure 1: (a) Comparison of performance on MedQA. (b) GPT-4 with Medprompt achieves SoTA on a wide range of medical challenge questions. A core metric for characterizing the performance of foundation models is the accuracy of next word prediction. Accuracy with next word prediction is found to increase with scale in training data, model parameters, and compute, in accordance with empirically derived “neural model scaling laws” [3, 12]). However, beyond predictions of scaling laws on basic measures such as next word prediction, foundation models show the sudden emergence of…  ( 1 min )

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Posted by Eliya Nachmani, Research Scientist, and Michelle Tadmor Ramanovich, Software Engineer, Google Research Speech-to-speech translation (S2ST) is a type of machine translation that converts spoken language from one language to another. This technology has the potential to break down language barriers and facilitate communication between people from different cultures and backgrounds. Previously, we introduced Translatotron 1 and Translatotron 2, the first ever models that were able to directly translate speech between two languages. However they were trained in supervised settings with parallel speech data. The scarcity of parallel speech data is a major challenge in this field, so much that most public datasets are semi- or fully-synthesized from text. This adds additiona…  ( 93 min )

PwR uses domain-specific languages to bridge communication between developers and AI tools. Learn how it can help simplify code creation and enhance software reliability and customization, no matter your coding expertise. The post PwR: Using representations for AI-powered software development appeared first on Microsoft Research.  ( 10 min )

I was reading a theorem giving conditions for a divergent series to have a convergent subseries and had a sort of flashback. I studied nonlinear PDEs in grad school, which amounted to applied functional analysis. We were constantly proving or using theorems about sequences having convergent subsequences, often subsequences that converged in a very weak […] Convergent subsequence first appeared on John D. Cook.  ( 5 min )

Training an overparameterized neural network can yield minimizers of the same level of training loss and yet different generalization capabilities. With evidence that indicates a correlation between sharpness of minima and their generalization errors, increasing efforts have been made to develop an optimization method to explicitly find flat minima as more generalizable solutions. This sharpness-aware minimization (SAM) strategy, however, has not been studied much yet as to how overparameterization can actually affect its behavior. In this work, we analyze SAM under varying degrees of overparameterization and present both empirical and theoretical results that suggest a critical influence of overparameterization on SAM. Specifically, we first use standard techniques in optimization to prove that SAM can achieve a linear convergence rate under overparameterization in a stochastic setting. We also show that the linearly stable minima found by SAM are indeed flatter and have more uniformly distributed Hessian moments compared to those of SGD. These results are corroborated with our experiments that reveal a consistent trend that the generalization improvement made by SAM continues to increase as the model becomes more overparameterized. We further present that sparsity can open up an avenue for effective overparameterization in practice.  ( 2 min )

Concept erasure in text-to-image diffusion models aims to disable pre-trained diffusion models from generating images related to a target concept. To perform reliable concept erasure, the properties of robustness and locality are desirable. The former refrains the model from producing images associated with the target concept for any paraphrased or learned prompts, while the latter preserves the model ability in generating images for non-target concepts. In this paper, we propose Reliable Concept Erasing via Lightweight Erasers (Receler), which learns a lightweight Eraser to perform concept erasing and enhances locality and robustness with the proposed concept-localized regularization and adversarial prompt learning, respectively. Comprehensive quantitative and qualitative experiments with various concept prompts verify the superiority of Receler over the previous erasing methods on the above two desirable properties.  ( 2 min )

Multivariate time series have many applications, from healthcare and meteorology to life science. Although deep learning models have shown excellent predictive performance for time series, they have been criticised for being "black-boxes" or non-interpretable. This paper proposes a novel modular neural network model for multivariate time series prediction that is interpretable by construction. A recurrent neural network learns the temporal dependencies in the data while an attention-based feature selection component selects the most relevant features and suppresses redundant features used in the learning of the temporal dependencies. A modular deep network is trained from the selected features independently to show the users how features influence outcomes, making the model interpretable. Experimental results show that this approach can outperform state-of-the-art interpretable Neural Additive Models (NAM) and variations thereof in both regression and classification of time series tasks, achieving a predictive performance that is comparable to the top non-interpretable methods for time series, LSTM and XGBoost.  ( 2 min )

Foundation Models (FMs) such as GPT-4 encoded with vast knowledge and powerful emergent abilities have achieved remarkable success in various natural language processing and computer vision tasks. Grounding FMs by adapting them to domain-specific tasks or augmenting them with domain-specific knowledge enables us to exploit the full potential of FMs. However, grounding FMs faces several challenges, stemming primarily from constrained computing resources, data privacy, model heterogeneity, and model ownership. Federated Transfer Learning (FTL), the combination of federated learning and transfer learning, provides promising solutions to address these challenges. In recent years, the need for grounding FMs leveraging FTL, coined FTL-FM, has arisen strongly in both academia and industry. Motivated by the strong growth in FTL-FM research and the potential impact of FTL-FM on industrial applications, we propose an FTL-FM framework that formulates problems of grounding FMs in the federated learning setting, construct a detailed taxonomy based on the FTL-FM framework to categorize state-of-the-art FTL-FM works, and comprehensively overview FTL-FM works based on the proposed taxonomy. We also establish correspondences between FTL-FM and conventional phases of adapting FM so that FM practitioners can align their research works with FTL-FM. In addition, we overview advanced efficiency-improving and privacy-preserving techniques because efficiency and privacy are critical concerns in FTL-FM. Last, we discuss opportunities and future research directions of FTL-FM.  ( 2 min )

Stochastic simulation models, while effective in capturing the dynamics of complex systems, are often too slow to run for real-time decision-making. Metamodeling techniques are widely used to learn the relationship between a summary statistic of the outputs (e.g., the mean or quantile) and the inputs of the simulator, so that it can be used in real time. However, this methodology requires the knowledge of an appropriate summary statistic in advance, making it inflexible for many practical situations. In this paper, we propose a new metamodeling concept, called generative metamodeling, which aims to construct a "fast simulator of the simulator". This technique can generate random outputs substantially faster than the original simulation model, while retaining an approximately equal conditional distribution given the same inputs. Once constructed, a generative metamodel can instantaneously generate a large amount of random outputs as soon as the inputs are specified, thereby facilitating the immediate computation of any summary statistic for real-time decision-making. Furthermore, we propose a new algorithm -- quantile-regression-based generative metamodeling (QRGMM) -- and study its convergence and rate of convergence. Extensive numerical experiments are conducted to investigate the empirical performance of QRGMM, compare it with other state-of-the-art generative algorithms, and demonstrate its usefulness in practical real-time decision-making.  ( 2 min )

This paper proposes a knowledge-driven AutoML architecture for pipeline and deep feature synthesis. The main goal is to render the AutoML process explainable and to leverage domain knowledge in the synthesis of pipelines and features. The architecture explores several novel ideas: first, the construction of pipelines and deep features is approached in an unified way. Next, synthesis is driven by a shared knowledge system, interactively queried as to what pipeline operations to use or features to compute. Lastly, the synthesis processes takes decisions at runtime using partial solutions and results of their application on data. Two experiments are conducted to demonstrate the functionality of a na\"{\i}ve implementation of the proposed architecture and to discuss its advantages, trade-offs as well as future potential for AutoML.  ( 2 min )

In this study, we are interested in imbuing robots with the capability of physically-grounded task planning. Recent advancements have shown that large language models (LLMs) possess extensive knowledge useful in robotic tasks, especially in reasoning and planning. However, LLMs are constrained by their lack of world grounding and dependence on external affordance models to perceive environmental information, which cannot jointly reason with LLMs. We argue that a task planner should be an inherently grounded, unified multimodal system. To this end, we introduce Robotic Vision-Language Planning (ViLa), a novel approach for long-horizon robotic planning that leverages vision-language models (VLMs) to generate a sequence of actionable steps. ViLa directly integrates perceptual data into its reasoning and planning process, enabling a profound understanding of commonsense knowledge in the visual world, including spatial layouts and object attributes. It also supports flexible multimodal goal specification and naturally incorporates visual feedback. Our extensive evaluation, conducted in both real-robot and simulated environments, demonstrates ViLa's superiority over existing LLM-based planners, highlighting its effectiveness in a wide array of open-world manipulation tasks.  ( 2 min )

Like masked language modeling (MLM) in natural language processing, masked image modeling (MIM) aims to extract valuable insights from image patches to enhance the feature extraction capabilities of the underlying deep neural network (DNN). Contrasted with other training paradigms like supervised learning and unsupervised contrastive learning, masked image modeling (MIM) pretraining typically demands significant computational resources in order to manage large training data batches (e.g., 4096). The significant memory and computation requirements pose a considerable challenge to its broad adoption. To mitigate this, we introduce a novel learning framework, termed~\textit{Block-Wise Masked Image Modeling} (BIM). This framework involves decomposing the MIM tasks into several sub-tasks with independent computation patterns, resulting in block-wise back-propagation operations instead of the traditional end-to-end approach. Our proposed BIM maintains superior performance compared to conventional MIM while greatly reducing peak memory consumption. Moreover, BIM naturally enables the concurrent training of numerous DNN backbones of varying depths. This leads to the creation of multiple trained DNN backbones, each tailored to different hardware platforms with distinct computing capabilities. This approach significantly reduces computational costs in comparison with training each DNN backbone individually. Our framework offers a promising solution for resource constrained training of MIM.  ( 2 min )

The notion of margin loss has been central to the development and analysis of algorithms for binary classification. To date, however, there remains no consensus as to the analogue of the margin loss for multiclass classification. In this work, we show that a broad range of multiclass loss functions, including many popular ones, can be expressed in the relative margin form, a generalization of the margin form of binary losses. The relative margin form is broadly useful for understanding and analyzing multiclass losses as shown by our prior work (Wang and Scott, 2020, 2021). To further demonstrate the utility of this way of expressing multiclass losses, we use it to extend the seminal result of Bartlett et al. (2006) on classification-calibration of binary margin losses to multiclass. We then analyze the class of Fenchel-Young losses, and expand the set of these losses that are known to be classification-calibrated.  ( 2 min )

Despite the remarkable advances that have been made in continual learning, the adversarial vulnerability of such methods has not been fully discussed. We delve into the adversarial robustness of memory-based continual learning algorithms and observe limited robustness improvement by directly applying adversarial training techniques. Preliminary studies reveal the twin challenges for building adversarial robust continual learners: accelerated forgetting in continual learning and gradient obfuscation in adversarial robustness. In this study, we put forward a novel adversarial robust memory-based continual learner that adjusts data logits to mitigate the forgetting of pasts caused by adversarial samples. Furthermore, we devise a gradient-based data selection mechanism to overcome the gradient obfuscation caused by limited stored data. The proposed approach can widely integrate with existing memory-based continual learning as well as adversarial training algorithms in a plug-and-play way. Extensive experiments on Split-CIFAR10/100 and Split-Tiny-ImageNet demonstrate the effectiveness of our approach, achieving up to 8.13% higher accuracy for adversarial data.  ( 2 min )

The paradigm of pre-training and fine-tuning has laid the foundation for deploying deep learning models. However, most fine-tuning methods are designed to meet a specific resource budget. Recently, considering diverse deployment scenarios with various resource budgets, stitchable neural network (SN-Net) is introduced to quickly obtain numerous new networks (stitches) from the pre-trained models (anchors) in a model family via model stitching. Although promising, SN-Net confronts new challenges when adapting it to new target domains, including huge memory and storage requirements and a long and sub-optimal multistage adaptation process. In this work, we present a novel framework, Efficient Stitchable Task Adaptation (ESTA), to efficiently produce a palette of fine-tuned models that adhere to diverse resource constraints. Specifically, we first tailor parameter-efficient fine-tuning to share low-rank updates among the stitches while maintaining independent bias terms. In this way, we largely reduce fine-tuning memory burdens and mitigate the interference among stitches that arises in task adaptation. Furthermore, we streamline a simple yet effective one-stage deployment pipeline, which estimates the important stitches to deploy with training-time gradient statistics. By assigning higher sampling probabilities to important stitches, we also get a boosted Pareto frontier. Extensive experiments on 25 downstream visual recognition tasks demonstrate that our ESTA is capable of generating stitches with smooth accuracy-efficiency trade-offs and surpasses the direct SN-Net adaptation by remarkable margins with significantly lower training time and fewer trainable parameters. Furthermore, we demonstrate the flexibility and scalability of our ESTA framework by stitching LLMs from LLaMA family, obtaining chatbot stitches of assorted sizes.  ( 3 min )

Physics-informed neural networks (PINNs) effectively embed physical principles into machine learning, but often struggle with complex or alternating geometries. We propose a novel method for integrating geometric transformations within PINNs to robustly accommodate geometric variations. Our method incorporates a diffeomorphism as a mapping of a reference domain and adapts the derivative computation of the physics-informed loss function. This generalizes the applicability of PINNs not only to smoothly deformed domains, but also to lower-dimensional manifolds and allows for direct shape optimization while training the network. We demonstrate the effectivity of our approach on several problems: (i) Eikonal equation on Archimedean spiral, (ii) Poisson problem on surface manifold, (iii) Incompressible Stokes flow in deformed tube, and (iv) Shape optimization with Laplace operator. Through these examples, we demonstrate the enhanced flexibility over traditional PINNs, especially under geometric variations. The proposed framework presents an outlook for training deep neural operators over parametrized geometries, paving the way for advanced modeling with PDEs on complex geometries in science and engineering.  ( 2 min )

Single-cell multi-view clustering enables the exploration of cellular heterogeneity within the same cell from different views. Despite the development of several multi-view clustering methods, two primary challenges persist. Firstly, most existing methods treat the information from both single-cell RNA (scRNA) and single-cell Assay of Transposase Accessible Chromatin (scATAC) views as equally significant, overlooking the substantial disparity in data richness between the two views. This oversight frequently leads to a degradation in overall performance. Additionally, the majority of clustering methods necessitate manual specification of the number of clusters by users. However, for biologists dealing with cell data, precisely determining the number of distinct cell types poses a formidable challenge. To this end, we introduce scUNC, an innovative multi-view clustering approach tailored for single-cell data, which seamlessly integrates information from different views without the need for a predefined number of clusters. The scUNC method comprises several steps: initially, it employs a cross-view fusion network to create an effective embedding, which is then utilized to generate initial clusters via community detection. Subsequently, the clusters are automatically merged and optimized until no further clusters can be merged. We conducted a comprehensive evaluation of scUNC using three distinct single-cell datasets. The results underscored that scUNC outperforms the other baseline methods.  ( 2 min )

Understanding whether a property is priced fairly hinders buyers and sellers since they usually do not have an objective viewpoint of the price distribution for the overall market of their interest. Drawing from data collected of all possible available properties for rent in Manhattan as of September 2023, this paper aims to strengthen our understanding of model residuals; specifically on machine learning models which generalize for a majority of the distribution of a well-proportioned dataset. Most models generally perceive deviations from predicted values as mere inaccuracies, however this paper proposes a different vantage point: when generalizing to at least 75\% of the data-set, the remaining deviations reveal significant insights. To harness these insights, we introduce the Price Anomaly Score (PAS), a metric capable of capturing boundaries between irregularly predicted prices. By combining relative pricing discrepancies with statistical significance, the Price Anomaly Score (PAS) offers a multifaceted view of rental valuations. This metric allows experts to identify overpriced or underpriced properties within a dataset by aggregating PAS values, then fine-tuning upper and lower boundaries to any threshold to set indicators of choice.  ( 3 min )

Neural field is an emerging paradigm in data representation that trains a neural network to approximate the given signal. A key obstacle that prevents its widespread adoption is the encoding speed-generating neural fields requires an overfitting of a neural network, which can take a significant number of SGD steps to reach the desired fidelity level. In this paper, we delve into the impacts of data transformations on the speed of neural field training, specifically focusing on how permuting pixel locations affect the convergence speed of SGD. Counterintuitively, we find that randomly permuting the pixel locations can considerably accelerate the training. To explain this phenomenon, we examine the neural field training through the lens of PSNR curves, loss landscapes, and error patterns. Our analyses suggest that the random pixel permutations remove the easy-to-fit patterns, which facilitate easy optimization in the early stage but hinder capturing fine details of the signal.

Machine learning enables extracting clinical insights from large temporal datasets. The applications of such machine learning models include identifying disease patterns and predicting patient outcomes. However, limited interpretability poses challenges for deploying advanced machine learning in digital healthcare. Understanding the meaning of latent states is crucial for interpreting machine learning models, assuming they capture underlying patterns. In this paper, we present a concise algorithm that allows for i) interpreting latent states using highly related input features; ii) interpreting predictions using subsets of input features via latent states; and iii) interpreting changes in latent states over time. The proposed algorithm is feasible for any model that is differentiable. We demonstrate that this approach enables the identification of a daytime behavioral pattern for predicting nocturnal behavior in a real-world healthcare dataset.

Stochastic gradient descent (SGD) and adaptive gradient methods, such as Adam and RMSProp, have been widely used in training deep neural networks. We empirically show that while the difference between the standard generalization performance of models trained using these methods is small, those trained using SGD exhibit far greater robustness under input perturbations. Notably, our investigation demonstrates the presence of irrelevant frequencies in natural datasets, where alterations do not affect models' generalization performance. However, models trained with adaptive methods show sensitivity to these changes, suggesting that their use of irrelevant frequencies can lead to solutions sensitive to perturbations. To better understand this difference, we study the learning dynamics of gradient descent (GD) and sign gradient descent (signGD) on a synthetic dataset that mirrors natural signals. With a three-dimensional input space, the models optimized with GD and signGD have standard risks close to zero but vary in their adversarial risks. Our result shows that linear models' robustness to $\ell_2$-norm bounded changes is inversely proportional to the model parameters' weight norm: a smaller weight norm implies better robustness. In the context of deep learning, our experiments show that SGD-trained neural networks have smaller Lipschitz constants, explaining the better robustness to input perturbations than those trained with adaptive gradient methods.  ( 3 min )

Traditional multi-view stereo (MVS) methods rely heavily on photometric and geometric consistency constraints, but newer machine learning-based MVS methods check geometric consistency across multiple source views only as a post-processing step. In this paper, we present a novel approach that explicitly encourages geometric consistency of reference view depth maps across multiple source views at different scales during learning (see Fig. 1). We find that adding this geometric consistency loss significantly accelerates learning by explicitly penalizing geometrically inconsistent pixels, reducing the training iteration requirements to nearly half that of other MVS methods. Our extensive experiments show that our approach achieves a new state-of-the-art on the DTU and BlendedMVS datasets, and competitive results on the Tanks and Temples benchmark. To the best of our knowledge, GC-MVSNet is the first attempt to enforce multi-view, multi-scale geometric consistency during learning.  ( 2 min )

This review systematizes the emerging literature for causal inference using deep neural networks under the potential outcomes framework. It provides an intuitive introduction on how deep learning can be used to estimate/predict heterogeneous treatment effects and extend causal inference to settings where confounding is non-linear, time varying, or encoded in text, networks, and images. To maximize accessibility, we also introduce prerequisite concepts from causal inference and deep learning. The survey differs from other treatments of deep learning and causal inference in its sharp focus on observational causal estimation, its extended exposition of key algorithms, and its detailed tutorials for implementing, training, and selecting among deep estimators in Tensorflow 2 available at github.com/kochbj/Deep-Learning-for-Causal-Inference.  ( 2 min )

The Gauss Markov theorem states that the weighted least squares estimator is a linear minimum variance unbiased estimation (MVUE) in linear models. In this paper, we take a first step towards extending this result to non linear settings via deep learning with bias constraints. The classical approach to designing non-linear MVUEs is through maximum likelihood estimation (MLE) which often involves computationally challenging optimizations. On the other hand, deep learning methods allow for non-linear estimators with fixed computational complexity. Learning based estimators perform optimally on average with respect to their training set but may suffer from significant bias in other parameters. To avoid this, we propose to add a simple bias constraint to the loss function, resulting in an estimator we refer to as Bias Constrained Estimator (BCE). We prove that this yields asymptotic MVUEs that behave similarly to the classical MLEs and asymptotically attain the Cramer Rao bound. We demonstrate the advantages of our approach in the context of signal to noise ratio estimation as well as covariance estimation. A second motivation to BCE is in applications where multiple estimates of the same unknown are averaged for improved performance. Examples include distributed sensor networks and data augmentation in test-time. In such applications, we show that BCE leads to asymptotically consistent estimators.

Over the past few years, silicon photonics-based computing has emerged as a promising alternative to CMOS-based computing for Deep Neural Networks (DNN). Unfortunately, the non-linear operations and the high-precision requirements of DNNs make it extremely challenging to design efficient silicon photonics-based systems for DNN inference and training. Hyperdimensional Computing (HDC) is an emerging, brain-inspired machine learning technique that enjoys several advantages over existing DNNs, including being lightweight, requiring low-precision operands, and being robust to noise introduced by the nonidealities in the hardware. For HDC, computing in-memory (CiM) approaches have been widely used, as CiM reduces the data transfer cost if the operands can fit into the memory. However, inefficient multi-bit operations, high write latency, and low endurance make CiM ill-suited for HDC. On the other hand, the existing electro-photonic DNN accelerators are inefficient for HDC because they are specifically optimized for matrix multiplication in DNNs and consume a lot of power with high-precision data converters. In this paper, we argue that photonic computing and HDC complement each other better than photonic computing and DNNs, or CiM and HDC. We propose PhotoHDC, the first-ever electro-photonic accelerator for HDC training and inference, supporting the basic, record-based, and graph encoding schemes. Evaluating with popular datasets, we show that our accelerator can achieve two to five orders of magnitude lower EDP than the state-of-the-art electro-photonic DNN accelerators for implementing HDC training and inference. PhotoHDC also achieves four orders of magnitude lower energy-delay product than CiM-based accelerators for both HDC training and inference.

We prove closed-form equations for the exact high-dimensional asymptotics of a family of first order gradient-based methods, learning an estimator (e.g. M-estimator, shallow neural network, ...) from observations on Gaussian data with empirical risk minimization. This includes widely used algorithms such as stochastic gradient descent (SGD) or Nesterov acceleration. The obtained equations match those resulting from the discretization of dynamical mean-field theory (DMFT) equations from statistical physics when applied to gradient flow. Our proof method allows us to give an explicit description of how memory kernels build up in the effective dynamics, and to include non-separable update functions, allowing datasets with non-identity covariance matrices. Finally, we provide numerical implementations of the equations for SGD with generic extensive batch-size and with constant learning rates.

Text-To-Image (TTI) models, such as DALL-E and StableDiffusion, have demonstrated remarkable prompt-based image generation capabilities. Multilingual encoders may have a substantial impact on the cultural agency of these models, as language is a conduit of culture. In this study, we explore the cultural perception embedded in TTI models by characterizing culture across three hierarchical tiers: cultural dimensions, cultural domains, and cultural concepts. Based on this ontology, we derive prompt templates to unlock the cultural knowledge in TTI models, and propose a comprehensive suite of evaluation techniques, including intrinsic evaluations using the CLIP space, extrinsic evaluations with a Visual-Question-Answer (VQA) model and human assessments, to evaluate the cultural content of TTI-generated images. To bolster our research, we introduce the CulText2I dataset, derived from four diverse TTI models and spanning ten languages. Our experiments provide insights regarding Do, What, Which and How research questions about the nature of cultural encoding in TTI models, paving the way for cross-cultural applications of these models.  ( 2 min )

In this paper, we address the limitations of existing text-to-image diffusion models in generating demographically fair results when given human-related descriptions. These models often struggle to disentangle the target language context from sociocultural biases, resulting in biased image generation. To overcome this challenge, we propose Fair Mapping, a general, model-agnostic, and lightweight approach that modifies a pre-trained text-to-image model by controlling the prompt to achieve fair image generation. One key advantage of our approach is its high efficiency. The training process only requires updating a small number of parameters in an additional linear mapping network. This not only reduces the computational cost but also accelerates the optimization process. We first demonstrate the issue of bias in generated results caused by language biases in text-guided diffusion models. By developing a mapping network that projects language embeddings into an unbiased space, we enable the generation of relatively balanced demographic results based on a keyword specified in the prompt. With comprehensive experiments on face image generation, we show that our method significantly improves image generation performance when prompted with descriptions related to human faces. By effectively addressing the issue of bias, we produce more fair and diverse image outputs. This work contributes to the field of text-to-image generation by enhancing the ability to generate images that accurately reflect the intended demographic characteristics specified in the text.

Hyperparameter Optimization (HPO) of Deep Learning-based models tends to be a compute resource intensive process as it usually requires to train the target model with many different hyperparameter configurations. We show that integrating model performance prediction with early stopping methods holds great potential to speed up the HPO process of deep learning models. Moreover, we propose a novel algorithm called Swift-Hyperband that can use either classical or quantum support vector regression for performance prediction and benefit from distributed High Performance Computing environments. This algorithm is tested not only for the Machine-Learned Particle Flow model used in High Energy Physics, but also for a wider range of target models from domains such as computer vision and natural language processing. Swift-Hyperband is shown to find comparable (or better) hyperparameters as well as using less computational resources in all test cases.  ( 2 min )

Solving complex planning problems has been a long-standing challenge in computer science. Learning-based subgoal search methods have shown promise in tackling these problems, but they often suffer from a lack of completeness guarantees, meaning that they may fail to find a solution even if one exists. In this paper, we propose an efficient approach to augment a subgoal search method to achieve completeness in discrete action spaces. Specifically, we augment the high-level search with low-level actions to execute a multi-level (hybrid) search, which we call complete subgoal search. This solution achieves the best of both worlds: the practical efficiency of high-level search and the completeness of low-level search. We apply the proposed search method to a recently proposed subgoal search algorithm and evaluate the algorithm trained on offline data on complex planning problems. We demonstrate that our complete subgoal search not only guarantees completeness but can even improve performance in terms of search expansions for instances that the high-level could solve without low-level augmentations. Our approach makes it possible to apply subgoal-level planning for systems where completeness is a critical requirement.  ( 2 min )

Tensor network (TN) representation is a powerful technique for computer vision and machine learning. TN structure search (TN-SS) aims to search for a customized structure to achieve a compact representation, which is a challenging NP-hard problem. Recent "sampling-evaluation-based" methods require sampling an extensive collection of structures and evaluating them one by one, resulting in prohibitively high computational costs. To address this issue, we propose a novel TN paradigm, named SVD-inspired TN decomposition (SVDinsTN), which allows us to efficiently solve the TN-SS problem from a regularized modeling perspective, eliminating the repeated structure evaluations. To be specific, by inserting a diagonal factor for each edge of the fully-connected TN, SVDinsTN allows us to calculate TN cores and diagonal factors simultaneously, with the factor sparsity revealing a compact TN structure. In theory, we prove a convergence guarantee for the proposed method. Experimental results demonstrate that the proposed method achieves approximately 100 to 1000 times acceleration compared to the state-of-the-art TN-SS methods while maintaining a comparable representation ability.  ( 2 min )

Modern time series forecasting methods, such as Transformer and its variants, have shown strong ability in sequential data modeling. To achieve high performance, they usually rely on redundant or unexplainable structures to model complex relations between variables and tune the parameters with large-scale data. Many real-world data mining tasks, however, lack sufficient variables for relation reasoning, and therefore these methods may not properly handle such forecasting problems. With insufficient data, time series appear to be affected by many exogenous variables, and thus, the modeling becomes unstable and unpredictable. To tackle this critical issue, in this paper, we develop a novel algorithmic framework for inferring the intrinsic latent factors implied by the observable time series. The inferred factors are used to form multiple independent and predictable signal components that enable not only sparse relation reasoning for long-term efficiency but also reconstructing the future temporal data for accurate prediction. To achieve this, we introduce three characteristics, i.e., predictability, sufficiency, and identifiability, and model these characteristics via the powerful deep latent dynamics models to infer the predictable signal components. Empirical results on multiple real datasets show the efficiency of our method for different kinds of time series forecasting. The statistical analysis validates the predictability of the learned latent factors.  ( 2 min )

Geographic location is essential for modeling tasks in fields ranging from ecology to epidemiology to the Earth system sciences. However, extracting relevant and meaningful characteristics of a location can be challenging, often entailing expensive data fusion or data distillation from global imagery datasets. To address this challenge, we introduce Satellite Contrastive Location-Image Pretraining (SatCLIP), a global, general-purpose geographic location encoder that learns an implicit representation of locations from openly available satellite imagery. Trained location encoders provide vector embeddings summarizing the characteristics of any given location for convenient usage in diverse downstream tasks. We show that SatCLIP embeddings, pretrained on globally sampled multi-spectral Sentinel-2 satellite data, can be used in various predictive tasks that depend on location information but not necessarily satellite imagery, including temperature prediction, animal recognition in imagery, and population density estimation. Across tasks, SatCLIP embeddings consistently outperform embeddings from existing pretrained location encoders, ranging from models trained on natural images to models trained on semantic context. SatCLIP embeddings also help to improve geographic generalization. This demonstrates the potential of general-purpose location encoders and opens the door to learning meaningful representations of our planet from the vast, varied, and largely untapped modalities of geospatial data.

Despite the success of Siamese encoder models such as sentence transformers (ST), little is known about the aspects of inputs they pay attention to. A barrier is that their predictions cannot be attributed to individual features, as they compare two inputs rather than processing a single one. This paper derives a local attribution method for Siamese encoders by generalizing the principle of integrated gradients to models with multiple inputs. The solution takes the form of feature-pair attributions, and can be reduced to a token-token matrix for STs. Our method involves the introduction of integrated Jacobians and inherits the advantageous formal properties of integrated gradients: it accounts for the model's full computation graph and is guaranteed to converge to the actual prediction. A pilot study shows that in an ST few token-pairs can often explain large fractions of predictions, and it focuses on nouns and verbs. For accurate predictions, it however needs to attend to the majority of tokens and parts of speech.

In recent years, the field of single-cell RNA sequencing has seen a surge in the development of clustering methods. These methods enable the identification of cell subpopulations, thereby facilitating the understanding of tumor microenvironments. Despite their utility, most existing clustering algorithms primarily focus on the attribute information provided by the cell matrix or the network structure between cells, often neglecting the network between genes. This oversight could lead to loss of information and clustering results that lack clinical significance. To address this limitation, we develop an advanced single-cell clustering model incorporating dual-graph alignment, which integrates gene network information into the clustering process based on self-supervised and unsupervised optimization. Specifically, we designed a graph-based autoencoder enhanced by an attention mechanism to effectively capture relationships between cells. Moreover, we performed the node2vec method on Protein-Protein Interaction (PPI) networks to derive the gene network structure and maintained this structure throughout the clustering process. Our proposed method has been demonstrated to be effective through experimental results, showcasing its ability to optimize clustering outcomes while preserving the original associations between cells and genes. This research contributes to obtaining accurate cell subpopulations and generates clustering results that more closely resemble real-world biological scenarios. It provides better insights into the characteristics and distribution of diseased cells, ultimately building a foundation for early disease diagnosis and treatment.

Multi-objective optimization (MOO) has become an influential framework in many machine learning problems with multiple objectives such as learning with multiple criteria and multi-task learning (MTL). In this paper, we propose a new direction-oriented multi-objective problem by regularizing the common descent direction within a neighborhood of a direction that optimizes a linear combination of objectives such as the average loss in MTL. This formulation includes GD and MGDA as special cases, enjoys the direction-oriented benefit as in CAGrad, and facilitates the design of stochastic algorithms. To solve this problem, we propose Stochastic Direction-oriented Multi-objective Gradient descent (SDMGrad) with simple SGD type of updates, and its variant SDMGrad-OS with an efficient objective sampling in the setting where the number of objectives is large. For a constant-level regularization parameter $\lambda$, we show that SDMGrad and SDMGrad-OS provably converge to a Pareto stationary point with improved complexities and milder assumptions. For an increasing $\lambda$, this convergent point reduces to a stationary point of the linear combination of objectives. We demonstrate the superior performance of the proposed methods in a series of tasks on multi-task supervised learning and reinforcement learning. Code is provided at https://github.com/ml-opt-lab/sdmgrad.

Bayesian experimental design (BED) provides a powerful and general framework for optimizing the design of experiments. However, its deployment often poses substantial computational challenges that can undermine its practical use. In this review, we outline how recent advances have transformed our ability to overcome these challenges and thus utilize BED effectively, before discussing some key areas for future development in the field.

TodevelopanovelUncertaintyQuantification (UQ) framework to estimate the uncertainty of patient survival models in the absence of ground truth, we developed and evaluated our approach based on a dataset of 1383 patients treated with stereotactic radiosurgery (SRS) for brain metastases between January 2015 and December 2020. Our motivating hypothesis is that a time-to-event prediction of a test patient on inference is more certain given a higher feature-space-similarity to patients in the training set. Therefore, the uncertainty for a particular patient-of-interest is represented by the concordance index between a patient similarity rank and a prediction similarity rank. Model uncertainty was defined as the increased percentage of the max uncertainty-constrained-AUC compared to the model AUC. We evaluated our method on multiple clinically-relevant endpoints, including time to intracranial progression (ICP), progression-free survival (PFS) after SRS, overall survival (OS), and time to ICP and/or death (ICPD), on a variety of both statistical and non-statistical models, including CoxPH, conditional survival forest (CSF), and neural multi-task linear regression (NMTLR). Our results show that all models had the lowest uncertainty on ICP (2.21%) and the highest uncertainty (17.28%) on ICPD. OS models demonstrated high variation in uncertainty performance, where NMTLR had the lowest uncertainty(1.96%)and CSF had the highest uncertainty (14.29%). In conclusion, our method can estimate the uncertainty of individual patient survival modeling results. As expected, our data empirically demonstrate that as model uncertainty measured via our technique increases, the similarity between a feature-space and its predicted outcome decreases.

The rise of Deep Neural Networks (DNNs) has led to an increase in model size and complexity, straining the memory capacity of GPUs. Sparsity in DNNs, characterized as structural or ephemeral, has gained attention as a solution. This work focuses on ephemeral sparsity, aiming to reduce memory consumption during training. It emphasizes the significance of activations, an often overlooked component, and their role in memory usage. This work employs structured pruning in Block Sparse Compressed Row (BSR) format in combination with a magnitude-based criterion to efficiently prune activations. We furthermore introduce efficient block-sparse operators for GPUs and showcase their effectiveness, as well as the superior compression offered by block sparsity. We report the effectiveness of activation pruning by evaluating training speed, accuracy, and memory usage of large-scale neural architectures on the example of ResMLP on image classification tasks. As a result, we observe a memory reduction of up to 32% while maintaining accuracy. Ultimately, our approach aims to democratize large-scale model training, reduce GPU requirements, and address ecological concerns.

High-dimensional imbalanced data poses a machine learning challenge. In the absence of sufficient or high-quality labels, unsupervised feature selection methods are crucial for the success of subsequent algorithms. Therefore, there is a growing need for unsupervised feature selection algorithms focused on imbalanced data. Thus, we propose a Marginal Laplacian Score (MLS) a modification of the well-known Laplacian Score (LS) to be better suited for imbalance data. We introduce an assumption that the minority class or anomalous appear more frequently in the margin of the features. Consequently, MLS aims to preserve the local structure of the data set's margin. As MLS is better suited for handling imbalanced data, we propose its integration into modern feature selection methods that utilize the Laplacian score. We integrate the MLS algorithm into the Differentiable Unsupervised Feature Selection (DUFS), resulting in DUFS-MLS. The proposed methods demonstrate robust and improved performance on synthetic and public data sets.

Deep learning (DL) has emerged as a powerful tool for accelerated MRI reconstruction, but often necessitates a database of fully-sampled measurements for training. Recent self-supervised and unsupervised learning approaches enable training without fully-sampled data. However, a database of undersampled measurements may not be available in many scenarios, especially for scans involving contrast or translational acquisitions in development. Moreover, recent studies show that database-trained models may not generalize well when the unseen measurements differ in terms of sampling pattern, acceleration rate, SNR, image contrast, and anatomy. Such challenges necessitate a new methodology to enable subject-specific DL MRI reconstruction without external training datasets, since it is clinically imperative to provide high-quality reconstructions that can be used to identify lesions/disease for \emph{every individual}. In this work, we propose a zero-shot self-supervised learning approach to perform subject-specific accelerated DL MRI reconstruction to tackle these issues. The proposed approach partitions the available measurements from a single scan into three disjoint sets. Two of these sets are used to enforce data consistency and define loss during training for self-supervision, while the last set serves to self-validate, establishing an early stopping criterion. In the presence of models pre-trained on a database with different image characteristics, we show that the proposed approach can be combined with transfer learning for faster convergence time and reduced computational complexity. The code is available at \url{https://github.com/byaman14/ZS-SSL}.

Autonomous Vehicles (AVs) promise a range of societal advantages, including broader access to mobility, reduced road accidents, and enhanced transportation efficiency. However, evaluating the risks linked to AVs is complex due to limited historical data and the swift progression of technology. This paper presents a data-driven framework for assessing the risk of different AVs' behaviors in various operational design domains (ODDs), based on counterfactual simulations of "misbehaving" road users. We propose the notion of counterfactual safety margin, which represents the minimum deviation from nominal behavior that could cause a collision. This methodology not only pinpoints the most critical scenarios but also quantifies the (relative) risk's frequency and severity concerning AVs. Importantly, we show that our approach is applicable even when the AV's behavioral policy remains undisclosed, through worst- and best-case analyses, benefiting external entities like regulators and risk evaluators. Our experimental outcomes demonstrate the correlation between the safety margin, the quality of the driving policy, and the ODD, shedding light on the relative risks of different AV providers. Overall, this work contributes to the safety assessment of AVs and addresses legislative and insurance concerns surrounding this burgeoning technology.

Multi-dimensional Scaling (MDS) is a family of methods for embedding pair-wise dissimilarities between $n$ objects into low-dimensional space. MDS is widely used as a data visualization tool in the social and biological sciences, statistics, and machine learning. We study the Kamada-Kawai formulation of MDS: given a set of non-negative dissimilarities $\{d_{i,j}\}_{i , j \in [n]}$ over $n$ points, the goal is to find an embedding $\{x_1,\dots,x_n\} \subset \mathbb{R}^k$ that minimizes \[ \text{OPT} = \min_{x} \mathbb{E}_{i,j \in [n]} \left[ \left(1-\frac{\|x_i - x_j\|}{d_{i,j}}\right)^2 \right] \] Despite its popularity, our theoretical understanding of MDS is extremely limited. Recently, Demaine, Hesterberg, Koehler, Lynch, and Urschel (arXiv:2109.11505) gave the first approximation algorithm with provable guarantees for Kamada-Kawai, which achieves an embedding with cost $\text{OPT} +\epsilon$ in $n^2 \cdot 2^{\tilde{\mathcal{O}}(k \Delta^4 / \epsilon^2)}$ time, where $\Delta$ is the aspect ratio of the input dissimilarities. In this work, we give the first approximation algorithm for MDS with quasi-polynomial dependency on $\Delta$: for target dimension $k$, we achieve a solution with cost $\mathcal{O}(\text{OPT}^{ \hspace{0.04in}1/k } \cdot \log(\Delta/\epsilon) )+ \epsilon$ in time $n^{ \mathcal{O}(1)} \cdot 2^{\tilde{\mathcal{O}}( k^2 (\log(\Delta)/\epsilon)^{k/2 + 1} ) }$. Our approach is based on a novel analysis of a conditioning-based rounding scheme for the Sherali-Adams LP Hierarchy. Crucially, our analysis exploits the geometry of low-dimensional Euclidean space, allowing us to avoid an exponential dependence on the aspect ratio $\Delta$. We believe our geometry-aware treatment of the Sherali-Adams Hierarchy is an important step towards developing general-purpose techniques for efficient metric optimization algorithms.

Loss functions serve as the foundation of supervised learning and are often chosen prior to model development. To avoid potentially ad hoc choices of losses, statistical decision theory describes a desirable property for losses known as \emph{properness}, which asserts that Bayes' rule is optimal. Recent works have sought to \emph{learn losses} and models jointly. Existing methods do this by fitting an inverse canonical link function which monotonically maps $\mathbb{R}$ to $[0,1]$ to estimate probabilities for binary problems. In this paper, we extend monotonicity to maps between $\mathbb{R}^{C-1}$ and the projected probability simplex $\tilde{\Delta}^{C-1}$ by using monotonicity of gradients of convex functions. We present {\sc LegendreTron} as a novel and practical method that jointly learns \emph{proper canonical losses} and probabilities for multiclass problems. Tested on a benchmark of domains with up to 1,000 classes, our experimental results show that our method consistently outperforms the natural multiclass baseline under a $t$-test at 99% significance on all datasets with greater than 10 classes.

Diffusion generative modeling has become a promising approach for learning robotic manipulation tasks from stochastic human demonstrations. In this paper, we present Diffusion-EDFs, a novel SE(3)-equivariant diffusion-based approach for visual robotic manipulation tasks. We show that our proposed method achieves remarkable data efficiency, requiring only 5 to 10 human demonstrations for effective end-to-end training in less than an hour. Furthermore, our benchmark experiments demonstrate that our approach has superior generalizability and robustness compared to state-of-the-art methods. Lastly, we validate our methods with real hardware experiments. Project Website: https://sites.google.com/view/diffusion-edfs/home

Federated Learning (FL) has been proposed as a privacy-preserving solution for machine learning. However, recent works have shown that Federated Learning can leak private client data through membership attacks. In this paper, we show that the effectiveness of these attacks on the clients negatively correlates with the size of the client datasets and model complexity. Based on this finding, we propose model-agnostic Federated Learning as a privacy-enhancing solution because it enables the use of models of varying complexity in the clients. To this end, we present $\texttt{MaPP-FL}$, a novel privacy-aware FL approach that leverages model compression on the clients while keeping a full model on the server. We compare the performance of $\texttt{MaPP-FL}$ against state-of-the-art model-agnostic FL methods on the CIFAR-10, CIFAR-100, and FEMNIST vision datasets. Our experiments show the effectiveness of $\texttt{MaPP-FL}$ in preserving the clients' and the server's privacy while achieving competitive classification accuracies.

Prosody -- the suprasegmental component of speech, including pitch, loudness, and tempo -- carries critical aspects of meaning. However, the relationship between the information conveyed by prosody vs. by the words themselves remains poorly understood. We use large language models (LLMs) to estimate how much information is redundant between prosody and the words themselves. Using a large spoken corpus of English audiobooks, we extract prosodic features aligned to individual words and test how well they can be predicted from LLM embeddings, compared to non-contextual word embeddings. We find a high degree of redundancy between the information carried by the words and prosodic information across several prosodic features, including intensity, duration, pauses, and pitch contours. Furthermore, a word's prosodic information is redundant with both the word itself and the context preceding as well as following it. Still, we observe that prosodic features can not be fully predicted from text, suggesting that prosody carries information above and beyond the words. Along with this paper, we release a general-purpose data processing pipeline for quantifying the relationship between linguistic information and extra-linguistic features.

Despite efforts to align large language models (LLMs) with human values, widely-used LLMs such as GPT, Llama, Claude, and PaLM are susceptible to jailbreaking attacks, wherein an adversary fools a targeted LLM into generating objectionable content. To address this vulnerability, we propose SmoothLLM, the first algorithm designed to mitigate jailbreaking attacks on LLMs. Based on our finding that adversarially-generated prompts are brittle to character-level changes, our defense first randomly perturbs multiple copies of a given input prompt, and then aggregates the corresponding predictions to detect adversarial inputs. SmoothLLM reduces the attack success rate on numerous popular LLMs to below one percentage point, avoids unnecessary conservatism, and admits provable guarantees on attack mitigation. Moreover, our defense uses exponentially fewer queries than existing attacks and is compatible with any LLM. Our code is publicly available at the following link: https://github.com/arobey1/smooth-llm.

Large language models (LLMs) have demonstrated impressive capabilities in natural language processing. However, their internal mechanisms are still unclear and this lack of transparency poses unwanted risks for downstream applications. Therefore, understanding and explaining these models is crucial for elucidating their behaviors, limitations, and social impacts. In this paper, we introduce a taxonomy of explainability techniques and provide a structured overview of methods for explaining Transformer-based language models. We categorize techniques based on the training paradigms of LLMs: traditional fine-tuning-based paradigm and prompting-based paradigm. For each paradigm, we summarize the goals and dominant approaches for generating local explanations of individual predictions and global explanations of overall model knowledge. We also discuss metrics for evaluating generated explanations, and discuss how explanations can be leveraged to debug models and improve performance. Lastly, we examine key challenges and emerging opportunities for explanation techniques in the era of LLMs in comparison to conventional machine learning models.

We present a new data-driven reduced-order modeling approach to efficiently solve parametrized partial differential equations (PDEs) for many-query problems. This work is inspired by the concept of implicit neural representation (INR), which models physics signals in a continuous manner and independent of spatial/temporal discretization. The proposed framework encodes PDE and utilizes a parametrized neural ODE (PNODE) to learn latent dynamics characterized by multiple PDE parameters. PNODE can be inferred by a hypernetwork to reduce the potential difficulties in learning PNODE due to a complex multilayer perceptron (MLP). The framework uses an INR to decode the latent dynamics and reconstruct accurate PDE solutions. Further, a physics-informed loss is also introduced to correct the prediction of unseen parameter instances. Incorporating the physics-informed loss also enables the model to be fine-tuned in an unsupervised manner on unseen PDE parameters. A numerical experiment is performed on a two-dimensional Burgers equation with a large variation of PDE parameters. We evaluate the proposed method at a large Reynolds number and obtain up to speedup of O(10^3) and ~1% relative error to the ground truth values.

Contrastive learning (CL) has emerged as a powerful framework for learning representations of images and text in a self-supervised manner while enhancing model robustness against adversarial attacks. More recently, researchers have extended the principles of contrastive learning to graph-structured data, giving birth to the field of graph contrastive learning (GCL). However, whether GCL methods can deliver the same advantages in adversarial robustness as their counterparts in the image and text domains remains an open question. In this paper, we introduce a comprehensive robustness evaluation protocol tailored to assess the robustness of GCL models. We subject these models to adaptive adversarial attacks targeting the graph structure, specifically in the evasion scenario. We evaluate node and graph classification tasks using diverse real-world datasets and attack strategies. With our work, we aim to offer insights into the robustness of GCL methods and hope to open avenues for potential future research directions.

We study the problem of building a controller that can follow open-ended instructions in open-world environments. We propose to follow reference videos as instructions, which offer expressive goal specifications while eliminating the need for expensive text-gameplay annotations. A new learning framework is derived to allow learning such instruction-following controllers from gameplay videos while producing a video instruction encoder that induces a structured goal space. We implement our agent GROOT in a simple yet effective encoder-decoder architecture based on causal transformers. We evaluate GROOT against open-world counterparts and human players on a proposed Minecraft SkillForge benchmark. The Elo ratings clearly show that GROOT is closing the human-machine gap as well as exhibiting a 70% winning rate over the best generalist agent baseline. Qualitative analysis of the induced goal space further demonstrates some interesting emergent properties, including the goal composition and complex gameplay behavior synthesis. The project page is available at https://craftjarvis-groot.github.io.

Graph Neural Networks (GNNs) play a crucial role in various fields. However, most existing deep graph learning frameworks assume pre-stored static graphs and do not support training on graph streams. In contrast, many real-world graphs are dynamic and contain time domain information. We introduce GNNFlow, a distributed framework that enables efficient continuous temporal graph representation learning on dynamic graphs on multi-GPU machines. GNNFlow introduces an adaptive time-indexed block-based data structure that effectively balances memory usage with graph update and sampling operation efficiency. It features a hybrid GPU-CPU graph data placement for rapid GPU-based temporal neighborhood sampling and kernel optimizations for enhanced sampling processes. A dynamic GPU cache for node and edge features is developed to maximize cache hit rates through reuse and restoration strategies. GNNFlow supports distributed training across multiple machines with static scheduling to ensure load balance. We implement GNNFlow based on DGL and PyTorch. Our experimental results show that GNNFlow provides up to 21.1x faster continuous learning than existing systems.

In this paper, we present a reinforcement learning (RL) method for solving optimal false data injection attack problems in probabilistic Boolean control networks (PBCNs) where the attacker lacks knowledge of the system model. Specifically, we employ a Q-learning (QL) algorithm to address this problem. We then propose an improved QL algorithm that not only enhances learning efficiency but also obtains optimal attack strategies for large-scale PBCNs that the standard QL algorithm cannot handle. Finally, we verify the effectiveness of our proposed approach by considering two attacked PBCNs, including a 10-node network and a 28-node network.

Foundation Models (FMs) have revolutionized machine learning with their adaptability and high performance across tasks; yet, their integration into Federated Learning (FL) is challenging due to substantial communication overhead from their extensive parameterization. Current communication-efficient FL strategies, such as gradient compression, reduce bitrates to around $1$ bit-per-parameter (bpp). However, these approaches fail to harness the characteristics of FMs, with their large number of parameters still posing a challenge to communication efficiency, even at these bitrate regimes. In this work, we present DeltaMask, a novel method that efficiently fine-tunes FMs in FL at an ultra-low bitrate, well below 1 bpp. DeltaMask employs stochastic masking to detect highly effective subnetworks within FMs and leverage stochasticity and sparsity in client masks to compress updates into a compact grayscale image using probabilistic filters, deviating from traditional weight training approaches. Our comprehensive evaluations across various datasets and architectures demonstrate DeltaMask efficiently achieves bitrates as low as 0.09 bpp, enhancing communication efficiency while maintaining FMs performance, as measured on 8 datasets and 5 pre-trained models of various network architectures.

Whole slide image (WSI) classification requires repetitive zoom-in and out for pathologists, as only small portions of the slide may be relevant to detecting cancer. Due to the lack of patch-level labels, multiple instance learning (MIL) is a common practice for training a WSI classifier. One of the challenges in MIL for WSIs is the weak supervision coming only from the slide-level labels, often resulting in severe overfitting. In response, researchers have considered adopting patch-level augmentation or applying mixup augmentation, but their applicability remains unverified. Our approach augments the training dataset by sampling a subset of patches in the WSI without significantly altering the underlying semantics of the original slides. Additionally, we introduce an efficient model (Slot-MIL) that organizes patches into a fixed number of slots, the abstract representation of patches, using an attention mechanism. We empirically demonstrate that the subsampling augmentation helps to make more informative slots by restricting the over-concentration of attention and to improve interpretability. Finally, we illustrate that combining our attention-based aggregation model with subsampling and mixup, which has shown limited compatibility in existing MIL methods, can enhance both generalization and calibration. Our proposed methods achieve the state-of-the-art performance across various benchmark datasets including class imbalance and distribution shifts.

Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most promising solution is distributed training which distributes the workload of training across multiple computing nodes. At present, the volume of related research on distributed GNN training is exceptionally vast, accompanied by an extraordinarily rapid pace of publication. Moreover, the approaches reported in these studies exhibit significant divergence. This situation poses a considerable challenge for newcomers, hindering their ability to grasp a comprehensive understanding of the workflows, computational patterns, communication strategies, and optimization techniques employed in distributed GNN training. As a result, there is a pressing need for a survey to provide correct recognition, analysis, and comparisons in this field. In this paper, we provide a comprehensive survey of distributed GNN training by investigating various optimization techniques used in distributed GNN training. First, distributed GNN training is classified into several categories according to their workflows. In addition, their computational patterns and communication patterns, as well as the optimization techniques proposed by recent work are introduced. Second, the software frameworks and hardware platforms of distributed GNN training are also introduced for a deeper understanding. Third, distributed GNN training is compared with distributed training of deep neural networks, emphasizing the uniqueness of distributed GNN training. Finally, interesting issues and opportunities in this field are discussed.

Deep generative models are key-enabling technology to computer vision, text generation and large language models. Denoising diffusion probabilistic models (DDPMs) have recently gained much attention due to their ability to generate diverse and high-quality samples in many computer vision tasks, as well as to incorporate flexible model architectures and relatively simple training scheme. Quantum generative models, empowered by entanglement and superposition, have brought new insight to learning classical and quantum data. Inspired by the classical counterpart, we propose the quantum denoising diffusion probabilistic models (QuDDPM) to enable efficiently trainable generative learning of quantum data. QuDDPM adopts sufficient layers of circuits to guarantee expressivity, while introduces multiple intermediate training tasks as interpolation between the target distribution and noise to avoid barren plateau and guarantee efficient training. We provide bounds on the learning error and demonstrate QuDDPM's capability in learning correlated quantum noise model, quantum many-body phases and topological structure of quantum data. The results provide a paradigm for versatile and efficient quantum generative learning.

The concept of rationality is central to the field of artificial intelligence. Whether we are seeking to simulate human reasoning, or the goal is to achieve bounded optimality, we generally seek to make artificial agents as rational as possible. Despite the centrality of the concept within AI, there is no unified definition of what constitutes a rational agent. This article provides a survey of rationality and irrationality in artificial intelligence, and sets out the open questions in this area. The understanding of rationality in other fields has influenced its conception within artificial intelligence, in particular work in economics, philosophy and psychology. Focusing on the behaviour of artificial agents, we consider irrational behaviours that can prove to be optimal in certain scenarios. Some methods have been developed to deal with irrational agents, both in terms of identification and interaction, however work in this area remains limited. Methods that have up to now been developed for other purposes, namely adversarial scenarios, may be adapted to suit interactions with artificial agents. We further discuss the interplay between human and artificial agents, and the role that rationality plays within this interaction; many questions remain in this area, relating to potentially irrational behaviour of both humans and artificial agents.

I study the problem of learning a Lipschitz function with corrupted binary signals. The learner tries to learn a $L$-Lipschitz function $f: [0,1]^d \rightarrow [0, L]$ that the adversary chooses. There is a total of $T$ rounds. In each round $t$, the adversary selects a context vector $x_t$ in the input space, and the learner makes a guess to the true function value $f(x_t)$ and receives a binary signal indicating whether the guess is high or low. In a total of $C$ rounds, the signal may be corrupted, though the value of $C$ is \emph{unknown} to the learner. The learner's goal is to incur a small cumulative loss. This work introduces the new algorithmic technique \emph{agnostic checking} as well as new analysis techniques. I design algorithms which: for the symmetric loss, the learner achieves regret $L\cdot O(C\log T)$ with $d = 1$ and $L\cdot O_d(C\log T + T^{(d-1)/d})$ with $d > 1$; for the pricing loss, the learner achieves regret $L\cdot \widetilde{O} (T^{d/(d+1)} + C\cdot T^{1/(d+1)})$.

Generative training has been demonstrated to be powerful for building visual-language models. However, on zero-shot discriminative benchmarks, there is still a performance gap between models trained with generative and discriminative objectives. In this paper, we aim to narrow this gap by improving the efficacy of generative training on classification tasks, without any finetuning processes or additional modules. Specifically, we focus on narrowing the gap between the generative captioner and the CLIP classifier. We begin by analysing the predictions made by the captioner and classifier and observe that the caption generation inherits the distribution bias from the language model trained with pure text modality, making it less grounded on the visual signal. To tackle this problem, we redesign the scoring objective for the captioner to alleviate the distributional bias and focus on measuring the gain of information brought by the visual inputs. We further design a generative training objective to match the evaluation objective. We name our model trained and evaluated from the novel procedures as Information Gain (IG) captioner. We pretrain the models on the public Laion-5B dataset and perform a series of discriminative evaluations. For the zero-shot classification on ImageNet, IG captioner achieves $> 18\%$ improvements over the standard captioner, achieving comparable performances with the CLIP classifier. IG captioner also demonstrated strong performance on zero-shot image-text retrieval tasks on MSCOCO and Flickr30K. We hope this paper inspires further research towards unifying generative and discriminative training procedures for visual-language models.

Recent advances in deep reinforcement learning have showcased its potential in tackling complex tasks. However, experiments on visual control tasks have revealed that state-of-the-art reinforcement learning models struggle with out-of-distribution generalization. Conversely, expressing higher-level concepts and global contexts is relatively easy using language. Building upon recent success of the large language models, our main objective is to improve the state abstraction technique in reinforcement learning by leveraging language for robust action selection. Specifically, we focus on learning language-grounded visual features to enhance the world model learning, a model-based reinforcement learning technique. To enforce our hypothesis explicitly, we mask out the bounding boxes of a few objects in the image observation and provide the text prompt as descriptions for these masked objects. Subsequently, we predict the masked objects along with the surrounding regions as pixel reconstruction, similar to the transformer-based masked autoencoder approach. Our proposed LanGWM: Language Grounded World Model achieves state-of-the-art performance in out-of-distribution test at the 100K interaction steps benchmarks of iGibson point navigation tasks. Furthermore, our proposed technique of explicit language-grounded visual representation learning has the potential to improve models for human-robot interaction because our extracted visual features are language grounded.

In this paper, we introduce the quantum adaptive distribution search (QuADS), a quantum continuous optimization algorithm that integrates Grover adaptive search (GAS) with the covariance matrix adaptation - evolution strategy (CMA-ES), a classical technique for continuous optimization. QuADS utilizes the quantum-based search capabilities of GAS and enhances them with the principles of CMA-ES for more efficient optimization. It employs a multivariate normal distribution for the initial state of the quantum search and repeatedly updates it throughout the optimization process. Our numerical experiments show that QuADS outperforms both GAS and CMA-ES. This is achieved through adaptive refinement of the initial state distribution rather than consistently using a uniform state, resulting in fewer oracle calls. This study presents an important step toward exploiting the potential of quantum computing for continuous optimization.

Measuring distance or similarity between time-series data is a fundamental aspect of many applications including classification, clustering, and ensembling/alignment. Existing measures may fail to capture similarities among local trends (shapes) and may even produce misleading results. Our goal is to develop a measure that looks for similar trends occurring around similar times and is easily interpretable for researchers in applied domains. This is particularly useful for applications where time-series have a sequence of meaningful local trends that are ordered, such as in epidemics (a surge to an increase to a peak to a decrease). We propose a novel measure, DTW+S, which creates an interpretable "closeness-preserving" matrix representation of the time-series, where each column represents local trends, and then it applies Dynamic Time Warping to compute distances between these matrices. We present a theoretical analysis that supports the choice of this representation. We demonstrate the utility of DTW+S in several tasks. For the clustering of epidemic curves, we show that DTW+S is the only measure able to produce good clustering compared to the baselines. For ensemble building, we propose a combination of DTW+S and barycenter averaging that results in the best preservation of characteristics of the underlying trajectories. We also demonstrate that our approach results in better classification compared to Dynamic Time Warping for a class of datasets, particularly when local trends rather than scale play a decisive role.

The high simulation cost has been a bottleneck of practical analog/mixed-signal design automation. Many learning-based algorithms require thousands of simulated data points, which is impractical for expensive to simulate circuits. We propose a learning-based algorithm that can be trained using a small amount of data and, therefore, scalable to tasks with expensive simulations. Our efficient algorithm solves the post-layout performance optimization problem where simulations are known to be expensive. Our comprehensive study also solves the schematic-level sizing problem. For efficient optimization, we utilize Bayesian Neural Networks as a regression model to approximate circuit performance. For layout-aware optimization, we handle the problem as a multi-fidelity optimization problem and improve efficiency by exploiting the correlations from cheaper evaluations. We present three test cases to demonstrate the efficiency of our algorithms. Our tests prove that the proposed approach is more efficient than conventional baselines and state-of-the-art algorithms.

With increasingly volatile market conditions and rapid product innovations, operational decision-making for large-scale systems entails solving thousands of problems with limited data. Data aggregation is proposed to combine the data across problems to improve the decisions obtained by solving those problems individually. We propose a novel cluster-based shrunken-SAA approach that can exploit the cluster structure among problems when implementing the data aggregation approaches. We prove that, as the number of problems grows, leveraging the known cluster structure among problems yields additional benefits over the data aggregation approaches that neglect such structure. When the cluster structure is unknown, we show that unveiling the cluster structure, even at the cost of a few data points, can be beneficial, especially when the distance between clusters of problems is substantial. Our proposed approach can be extended to general cost functions under mild conditions. When the number of problems gets large, the optimality gap of our proposed approach decreases exponentially in the distance between the clusters. We explore the performance of the proposed approach through the application of managing newsvendor systems via numerical experiments. We investigate the impacts of distance metrics between problem instances on the performance of the cluster-based Shrunken-SAA approach with synthetic data. We further validate our proposed approach with real data and highlight the advantages of cluster-based data aggregation, especially in the small-data large-scale regime, compared to the existing approaches.

Time Series Motif Discovery (TSMD) refers to the task of identifying patterns that occur multiple times (possibly with minor variations) in a time series. All existing methods for TSMD have one or more of the following limitations: they only look for the two most similar occurrences of a pattern; they only look for patterns of a pre-specified, fixed length; they cannot handle variability along the time axis; and they only handle univariate time series. In this paper, we present a new method, LoCoMotif, that has none of these limitations. The method is motivated by a concrete use case from physiotherapy. We demonstrate the value of the proposed method on this use case. We also introduce a new quantitative evaluation metric for motif discovery, and benchmark data for comparing TSMD methods. LoCoMotif substantially outperforms the existing methods, on top of being more broadly applicable.

Model-agnostic meta-learning (MAML) is one of the most successful meta-learning algorithms. It has a bi-level optimization structure where the outer-loop process learns a shared initialization and the inner-loop process optimizes task-specific weights. Although MAML relies on the standard gradient descent in the inner-loop, recent studies have shown that controlling the inner-loop's gradient descent with a meta-learned preconditioner can be beneficial. Existing preconditioners, however, cannot simultaneously adapt in a task-specific and path-dependent way. Additionally, they do not satisfy the Riemannian metric condition, which can enable the steepest descent learning with preconditioned gradient. In this study, we propose Geometry-Adaptive Preconditioned gradient descent (GAP) that can overcome the limitations in MAML; GAP can efficiently meta-learn a preconditioner that is dependent on task-specific parameters, and its preconditioner can be shown to be a Riemannian metric. Thanks to the two properties, the geometry-adaptive preconditioner is effective for improving the inner-loop optimization. Experiment results show that GAP outperforms the state-of-the-art MAML family and preconditioned gradient descent-MAML (PGD-MAML) family in a variety of few-shot learning tasks. Code is available at: https://github.com/Suhyun777/CVPR23-GAP.

Contrastive learning has proven to be an effective method for pre-training models using weakly labeled data in the vision domain. Sentence transformers are the NLP counterparts to this architecture, and have been growing in popularity due to their rich and effective sentence representations. Having effective sentence representations is paramount in multiple tasks, such as information retrieval, retrieval augmented generation (RAG), and sentence comparison. Keeping in mind the deployability factor of transformers, evaluating the robustness of sentence transformers is of utmost importance. This work focuses on evaluating the robustness of the sentence encoders. We employ several adversarial attacks to evaluate its robustness. This system uses character-level attacks in the form of random character substitution, word-level attacks in the form of synonym replacement, and sentence-level attacks in the form of intra-sentence word order shuffling. The results of the experiments strongly undermine the robustness of sentence encoders. The models produce significantly different predictions as well as embeddings on perturbed datasets. The accuracy of the models can fall up to 15 percent on perturbed datasets as compared to unperturbed datasets. Furthermore, the experiments demonstrate that these embeddings does capture the semantic and syntactic structure (sentence order) of sentences. However, existing supervised classification strategies fail to leverage this information, and merely function as n-gram detectors.

Many areas of machine learning and science involve large linear algebra problems, such as eigendecompositions, solving linear systems, computing matrix exponentials, and trace estimation. The matrices involved often have Kronecker, convolutional, block diagonal, sum, or product structure. In this paper, we propose a simple but general framework for large-scale linear algebra problems in machine learning, named CoLA (Compositional Linear Algebra). By combining a linear operator abstraction with compositional dispatch rules, CoLA automatically constructs memory and runtime efficient numerical algorithms. Moreover, CoLA provides memory efficient automatic differentiation, low precision computation, and GPU acceleration in both JAX and PyTorch, while also accommodating new objects, operations, and rules in downstream packages via multiple dispatch. CoLA can accelerate many algebraic operations, while making it easy to prototype matrix structures and algorithms, providing an appealing drop-in tool for virtually any computational effort that requires linear algebra. We showcase its efficacy across a broad range of applications, including partial differential equations, Gaussian processes, equivariant model construction, and unsupervised learning.

Digital twin, which enables emulation, evaluation, and optimization of physical entities through synchronized digital replicas, has gained increasingly attention as a promising technology for intricate wireless networks. For 6G, numerous innovative wireless technologies and network architectures have posed new challenges in establishing wireless network digital twins. To tackle these challenges, artificial intelligence (AI), particularly the flourishing generative AI, emerges as a potential solution. In this article, we discuss emerging prerequisites for wireless network digital twins considering the complicated network architecture, tremendous network scale, extensive coverage, and diversified application scenarios in the 6G era. We further explore the applications of generative AI, such as transformer and diffusion model, to empower the 6G digital twin from multiple perspectives including implementation, physical-digital synchronization, and slicing capability. Subsequently, we propose a hierarchical generative AI-enabled wireless network digital twin at both the message-level and policy-level, and provide a typical use case with numerical results to validate the effectiveness and efficiency. Finally, open research issues for wireless network digital twins in the 6G era are discussed.

We propose "collision cross-entropy" as a robust alternative to Shannon's cross-entropy (CE) loss when class labels are represented by soft categorical distributions y. In general, soft labels can naturally represent ambiguous targets in classification. They are particularly relevant for self-labeled clustering methods, where latent pseudo-labels are jointly estimated with the model parameters and uncertainty is prevalent. In case of soft labels, Shannon's CE teaches the model predictions to reproduce the uncertainty in each training example, which inhibits the model's ability to learn and generalize from these examples. As an alternative loss, we propose the negative log of "collision probability" that maximizes the chance of equality between two random variables, predicted class and unknown true class. We show that it has the properties of a generalized CE. The proposed collision CE agrees with Shannon's CE for one-hot labels, but the training from soft labels differs. For example, unlike Shannon's CE, data points where y is a uniform distribution have zero contribution to the training. Collision CE significantly improves classification supervised by soft uncertain targets. Unlike Shannon's, collision CE is symmetric for y and network predictions, which is particularly relevant when both distributions are estimated in the context of self-labeled clustering. Focusing on discriminative deep clustering where self-labeling and entropy-based losses are dominant, we show that the use of collision CE improves the state-of-the-art. We also derive an efficient EM algorithm that significantly speeds up the pseudo-label estimation with collision CE.

Large discrete action spaces (LDAS) remain a central challenge in reinforcement learning. Existing solution approaches can handle unstructured LDAS with up to a few million actions. However, many real-world applications in logistics, production, and transportation systems have combinatorial action spaces, whose size grows well beyond millions of actions, even on small instances. Fortunately, such action spaces exhibit structure, e.g., equally spaced discrete resource units. With this work, we focus on handling structured LDAS (SLDAS) with sizes that cannot be handled by current benchmarks: we propose Dynamic Neighborhood Construction (DNC), a novel exploitation paradigm for SLDAS. We present a scalable neighborhood exploration heuristic that utilizes this paradigm and efficiently explores the discrete neighborhood around the continuous proxy action in structured action spaces with up to $10^{73}$ actions. We demonstrate the performance of our method by benchmarking it against three state-of-the-art approaches designed for large discrete action spaces across two distinct environments. Our results show that DNC matches or outperforms state-of-the-art approaches while being computationally more efficient. Furthermore, our method scales to action spaces that so far remained computationally intractable for existing methodologies.

Recent studies attempted to utilize multilayer perceptrons (MLPs) to solve semisupervised node classification on graphs, by training a student MLP by knowledge distillation from a teacher graph neural network (GNN). While previous studies have focused mostly on training the student MLP by matching the output probability distributions between the teacher and student models during distillation, it has not been systematically studied how to inject the structural information in an explicit and interpretable manner. Inspired by GNNs that separate feature transformation $T$ and propagation $\Pi$, we re-frame the distillation process as making the student MLP learn both $T$ and $\Pi$. Although this can be achieved by applying the inverse propagation $\Pi^{-1}$ before distillation from the teacher, it still comes with a high computational cost from large matrix multiplications during training. To solve this problem, we propose Propagate & Distill (P&D), which propagates the output of the teacher before distillation, which can be interpreted as an approximate process of the inverse propagation. We demonstrate that P&D can readily improve the performance of the student MLP.

When we use algorithms to produce risk assessments, we typically think of these predictions as providing helpful input to human decisions, such as when risk scores are presented to judges or doctors. But when a decision-maker obtains algorithmic assistance, they may not only react to the information. The decision-maker may view the input of the algorithm as recommending a default action, making it costly for them to deviate, such as when a judge is reluctant to overrule a high-risk assessment of a defendant or a doctor fears the consequences of deviating from recommended procedures. In this article, we propose a principal-agent model of joint human-machine decision-making. Within this model, we consider the effect and design of algorithmic recommendations when they affect choices not just by shifting beliefs, but also by altering preferences. We motivate this assumption from institutional factors, such as a desire to avoid audits, as well as from well-established models in behavioral science that predict loss aversion relative to a reference point, which here is set by the algorithm. We show that recommendation-dependent preferences create inefficiencies where the decision-maker is overly responsive to the recommendation. As a potential remedy, we discuss algorithms that strategically withhold recommendations, and show how they can improve the quality of final decisions.

Backpropagation (BP) is the dominant and most successful method for training parameters of deep neural network models. However, BP relies on two computationally distinct phases, does not provide a satisfactory explanation of biological learning, and can be challenging to apply for training of networks with discontinuities or noisy node dynamics. By comparison, node perturbation (NP) proposes learning by the injection of noise into the network activations, and subsequent measurement of the induced loss change. NP relies on two forward (inference) passes, does not make use of network derivatives, and has been proposed as a model for learning in biological systems. However, standard NP is highly data inefficient and unstable due to its unguided noise-based search process. In this work, we investigate different formulations of NP and relate it to the concept of directional derivatives as well as combining it with a decorrelating mechanism for layer-wise inputs. We find that a closer alignment with directional derivatives together with input decorrelation at every layer significantly enhances performance of NP learning, making its performance on the train set competitive with BP and allowing its application to noisy systems in which the noise process itself is inaccessible.

While deep learning has led to huge progress in complex image classification tasks like ImageNet, unexpected failure modes, e.g. via spurious features, call into question how reliably these classifiers work in the wild. Furthermore, for safety-critical tasks the black-box nature of their decisions is problematic, and explanations or at least methods which make decisions plausible are needed urgently. In this paper, we address these problems by generating images that optimize a classifier-derived objective using a framework for guided image generation. We analyze the behavior and decisions of image classifiers by visual counterfactual explanations (VCEs), detection of systematic mistakes by analyzing images where classifiers maximally disagree, and visualization of neurons to verify potential spurious features. In this way, we validate existing observations, e.g. the shape bias of adversarially robust models, as well as novel failure modes, e.g. systematic errors of zero-shot CLIP classifiers, or identify harmful spurious features. Moreover, our VCEs outperform previous work while being more versatile.

Persuasion games have been fundamental in economics and AI research, and have significant practical applications. Recent works in this area have started to incorporate natural language, moving beyond the traditional stylized message setting. However, previous research has focused on on-policy prediction, where the train and test data have the same distribution, which is not representative of real-life scenarios. In this paper, we tackle the challenging problem of off-policy evaluation (OPE) in language-based persuasion games. To address the inherent difficulty of human data collection in this setup, we propose a novel approach which combines real and simulated human-bot interaction data. Our simulated data is created by an exogenous model assuming decision makers (DMs) start with a mixture of random and decision-theoretic based behaviors and improve over time. We present a deep learning training algorithm that effectively integrates real interaction and simulated data, substantially improving over models that train only with interaction data. Our results demonstrate the potential of real interaction and simulation mixtures as a cost-effective and scalable solution for OPE in language-based persuasion games. Our code and the large dataset we collected and generated are submitted as supplementary material and publicly available in our GitHub repository: https://github.com/eilamshapira/HumanChoicePrediction

As large language models (LLMs) become more capable, there is an urgent need for interpretable and transparent tools. Current methods are difficult to implement, and accessible tools to analyze model internals are lacking. To bridge this gap, we present DeepDecipher - an API and interface for probing neurons in transformer models' MLP layers. DeepDecipher makes the outputs of advanced interpretability techniques for LLMs readily available. The easy-to-use interface also makes inspecting these complex models more intuitive. This paper outlines DeepDecipher's design and capabilities. We demonstrate how to analyze neurons, compare models, and gain insights into model behavior. For example, we contrast DeepDecipher's functionality with similar tools like Neuroscope and OpenAI's Neuron Explainer. DeepDecipher enables efficient, scalable analysis of LLMs. By granting access to state-of-the-art interpretability methods, DeepDecipher makes LLMs more transparent, trustworthy, and safe. Researchers, engineers, and developers can quickly diagnose issues, audit systems, and advance the field.

Closed-form differential equations, including partial differential equations and higher-order ordinary differential equations, are one of the most important tools used by scientists to model and better understand natural phenomena. Discovering these equations directly from data is challenging because it requires modeling relationships between various derivatives that are not observed in the data (equation-data mismatch) and it involves searching across a huge space of possible equations. Current approaches make strong assumptions about the form of the equation and thus fail to discover many well-known systems. Moreover, many of them resolve the equation-data mismatch by estimating the derivatives, which makes them inadequate for noisy and infrequently sampled systems. To this end, we propose D-CIPHER, which is robust to measurement artifacts and can uncover a new and very general class of differential equations. We further design a novel optimization procedure, CoLLie, to help D-CIPHER search through this class efficiently. Finally, we demonstrate empirically that it can discover many well-known equations that are beyond the capabilities of current methods.

The Horse Herd Optimization Algorithm (HOA) is a new meta-heuristic algorithm based on the behaviors of horses at different ages. The HOA was introduced recently to solve complex and high-dimensional problems. This paper proposes a binary version of the Horse Herd Optimization Algorithm (BHOA) in order to solve discrete problems and select prominent feature subsets. Moreover, this study provides a novel hybrid feature selection framework based on the BHOA and a minimum Redundancy Maximum Relevance (MRMR) filter method. This hybrid feature selection, which is more computationally efficient, produces a beneficial subset of relevant and informative features. Since feature selection is a binary problem, we have applied a new Transfer Function (TF), called X-shape TF, which transforms continuous problems into binary search spaces. Furthermore, the Support Vector Machine (SVM) is utilized to examine the efficiency of the proposed method on ten microarray datasets, namely Lymphoma, Prostate, Brain-1, DLBCL, SRBCT, Leukemia, Ovarian, Colon, Lung, and MLL. In comparison to other state-of-the-art, such as the Gray Wolf (GW), Particle Swarm Optimization (PSO), and Genetic Algorithm (GA), the proposed hybrid method (MRMR-BHOA) demonstrates superior performance in terms of accuracy and minimum selected features. Also, experimental results prove that the X-Shaped BHOA approach outperforms others methods.

Being able to identify functions of interest in cross-architecture software is useful whether you are analysing for malware, securing the software supply chain or conducting vulnerability research. Cross-Architecture Binary Code Similarity Search has been explored in numerous studies and has used a wide range of different data sources to achieve its goals. The data sources typically used draw on common structures derived from binaries such as function control flow graphs or binary level call graphs, the output of the disassembly process or the outputs of a dynamic analysis approach. One data source which has received less attention is binary intermediate representations. Binary Intermediate representations possess two interesting properties: they are cross architecture by their very nature and encode the semantics of a function explicitly to support downstream usage. Within this paper we propose Function as a String Encoded Representation (FASER) which combines long document transformers with the use of intermediate representations to create a model capable of cross architecture function search without the need for manual feature engineering, pre-training or a dynamic analysis step. We compare our approach against a series of baseline approaches for two tasks; A general function search task and a targeted vulnerability search task. Our approach demonstrates strong performance across both tasks, performing better than all baseline approaches.

Traffic prediction is a crucial topic because of its broad scope of applications in the transportation domain. Recently, various studies have achieved promising results. However, most studies assume the prediction locations have complete or at least partial historical records and cannot be extended to non-historical recorded locations. In real-life scenarios, the deployment of sensors could be limited due to budget limitations and installation availability, which makes most current models not applicable. Though few pieces of literature tried to impute traffic states at the missing locations, these methods need the data simultaneously observed at the locations with sensors, making them not applicable to prediction tasks. Another drawback is the lack of measurement of uncertainty in prediction, making prior works unsuitable for risk-sensitive tasks or involving decision-making. To fill the gap, inspired by the previous inductive graph neural network, this work proposed an uncertainty-aware framework with the ability to 1) extend prediction to missing locations with no historical records and significantly extend spatial coverage of prediction locations while reducing deployment of sensors and 2) generate probabilistic prediction with uncertainty quantification to help the management of risk and decision making in the down-stream tasks. Through extensive experiments on real-life datasets, the result shows our method achieved promising results on prediction tasks, and the uncertainty quantification gives consistent results which highly correlated with the locations with and without historical data. We also show that our model could help support sensor deployment tasks in the transportation field to achieve higher accuracy with a limited sensor deployment budget.

Diffusion models have rapidly become a vital part of deep generative architectures, given today's increasing demands. Obtaining large, high-performance diffusion models demands significant resources, highlighting their importance as intellectual property worth protecting. However, existing watermarking techniques for ownership verification are insufficient when applied to diffusion models. Very recent research in watermarking diffusion models either exposes watermarks during task generation, which harms the imperceptibility, or is developed for conditional diffusion models that require prompts to trigger the watermark. This paper introduces WDM, a novel watermarking solution for diffusion models without imprinting the watermark during task generation. It involves training a model to concurrently learn a Watermark Diffusion Process (WDP) for embedding watermarks alongside the standard diffusion process for task generation. We provide a detailed theoretical analysis of WDP training and sampling, relating it to a shifted Gaussian diffusion process via the same reverse noise. Extensive experiments are conducted to validate the effectiveness and robustness of our approach in various trigger and watermark data configurations.

The Detection Transformer (DETR) has emerged as a pivotal role in object detection tasks, setting new performance benchmarks due to its end-to-end design and scalability. Despite its advancements, the application of DETR in detecting rotated objects has demonstrated suboptimal performance relative to established oriented object detectors. Our analysis identifies a key limitation: the L1 cost used in Hungarian Matching leads to duplicate predictions due to the square-like problem in oriented object detection, thereby obstructing the training process of the detector. We introduce a Hausdorff distance-based cost for Hungarian matching, which more accurately quantifies the discrepancy between predictions and ground truths. Moreover, we note that a static denoising approach hampers the training of rotated DETR, particularly when the detector's predictions surpass the quality of noised ground truths. We propose an adaptive query denoising technique, employing Hungarian matching to selectively filter out superfluous noised queries that no longer contribute to model improvement. Our proposed modifications to DETR have resulted in superior performance, surpassing previous rotated DETR models and other alternatives. This is evidenced by our model's state-of-the-art achievements in benchmarks such as DOTA-v1.0/v1.5/v2.0, and DIOR-R.

Most real-world networks are noisy and incomplete samples from an unknown target distribution. Refining them by correcting corruptions or inferring unobserved regions typically improves downstream performance. Inspired by the impressive generative capabilities that have been used to correct corruptions in images, and the similarities between "in-painting" and filling in missing nodes and edges conditioned on the observed graph, we propose a novel graph generative framework, SGDM, which is based on subgraph diffusion. Our framework not only improves the scalability and fidelity of graph diffusion models, but also leverages the reverse process to perform novel, conditional generation tasks. In particular, through extensive empirical analysis and a set of novel metrics, we demonstrate that our proposed model effectively supports the following refinement tasks for partially observable networks: T1: denoising extraneous subgraphs, T2: expanding existing subgraphs and T3: performing "style" transfer by regenerating a particular subgraph to match the characteristics of a different node or subgraph.

Edge applications, such as collaborative robotics and spacecraft rendezvous, demand efficient 6D object pose estimation on resource-constrained embedded platforms. Existing 6D pose estimation networks are often too large for such deployments, necessitating compression while maintaining reliable performance. To address this challenge, we introduce Modular Quantization-Aware Training (MQAT), an adaptive and mixed-precision quantization-aware training strategy that exploits the modular structure of modern 6D pose estimation architectures. MQAT guides a systematic gradated modular quantization sequence and determines module-specific bit precisions, leading to quantized models that outperform those produced by state-of-the-art uniform and mixed-precision quantization techniques. Our experiments showcase the generality of MQAT across datasets, architectures, and quantization algorithms. Remarkably, MQAT-trained quantized models achieve a significant accuracy boost (>7%) over the baseline full-precision network while reducing model size by a factor of 4x or more.

Inverse imaging problems that are ill-posed can be encountered across multiple domains of science and technology, ranging from medical diagnosis to astronomical studies. To reconstruct images from incomplete and distorted data, it is necessary to create algorithms that can take into account both, the physical mechanisms responsible for generating these measurements and the intrinsic characteristics of the images being analyzed. In this work, the sparse representation of images is reviewed, which is a realistic, compact and effective generative model for natural images inspired by the visual system of mammals. It enables us to address ill-posed linear inverse problems by training the model on a vast collection of images. Moreover, we extend the application of sparse coding to solve the non-linear and ill-posed problem in microwave tomography imaging, which could lead to a significant improvement of the state-of-the-arts algorithms.

The vanishing ideal of a set of points $X\subseteq \mathbb{R}^n$ is the set of polynomials that evaluate to $0$ over all points $\mathbf{x} \in X$ and admits an efficient representation by a finite set of polynomials called generators. To accommodate the noise in the data set, we introduce the pairwise conditional gradients approximate vanishing ideal algorithm (PCGAVI) that constructs a set of generators of the approximate vanishing ideal. The constructed generators capture polynomial structures in data and give rise to a feature map that can, for example, be used in combination with a linear classifier for supervised learning. In PCGAVI, we construct the set of generators by solving constrained convex optimization problems with the pairwise conditional gradients algorithm. Thus, PCGAVI not only constructs few but also sparse generators, making the corresponding feature transformation robust and compact. Furthermore, we derive several learning guarantees for PCGAVI that make the algorithm theoretically better motivated than related generator-constructing methods.

Jamming and intrusion detection are critical in 5G research, aiming to maintain reliability, prevent user experience degradation, and avoid infrastructure failure. This paper introduces an anonymous jamming detection model for 5G based on signal parameters from the protocol stacks. The system uses supervised and unsupervised learning for real-time, high-accuracy detection of jamming, including unknown types. Supervised models reach an AUC of 0.964 to 1, compared to LSTM models with an AUC of 0.923 to 1. However, the need for data annotation limits the supervised approach. To address this, an unsupervised auto-encoder-based anomaly detection is presented with an AUC of 0.987. The approach is resistant to adversarial training samples. For transparency and domain knowledge injection, a Bayesian network-based causation analysis is introduced.

Efficiently predicting properties of porous crystalline materials has great potential to accelerate the high throughput screening process for developing new materials, as simulations carried out using first principles model are often computationally expensive. To effectively make use of Deep Learning methods to model these materials, we need to utilize the symmetries present in the crystals, which are defined by their space group. Existing methods for crystal property prediction either have symmetry constraints that are too restrictive or only incorporate symmetries between unit cells. In addition, these models do not explicitly model the porous structure of the crystal. In this paper, we develop a model which incorporates the symmetries of the unit cell of a crystal in its architecture and explicitly models the porous structure. We evaluate our model by predicting the heat of adsorption of CO$_2$ for different configurations of the mordenite zeolite. Our results confirm that our method performs better than existing methods for crystal property prediction and that the inclusion of pores results in a more efficient model.

In the context of Earth observation, change detection boils down to comparing images acquired at different times by sensors of possibly different spatial and/or spectral resolutions or different modalities (e.g., optical or radar). Even when considering only optical images, this task has proven to be challenging as soon as the sensors differ by their spatial and/or spectral resolutions. This paper proposes a novel unsupervised change detection method dedicated to images acquired by such so-called heterogeneous optical sensors. It capitalizes on recent advances which formulate the change detection task into a robust fusion framework. Adopting this formulation, the work reported in this paper shows that any off-the-shelf network trained beforehand to fuse optical images of different spatial and/or spectral resolutions can be easily complemented with a network of the same architecture and embedded into an adversarial framework to perform change detection. A comparison with state-of-the-art change detection methods demonstrates the versatility and the effectiveness of the proposed approach.

As the global deployment of carbon capture and sequestration (CCS) technology intensifies in the fight against climate change, it becomes increasingly imperative to establish robust monitoring and detection mechanisms for potential underground CO2 leakage, particularly through pre-existing or induced faults in the storage reservoir's seals. While techniques such as history matching and time-lapse seismic monitoring of CO2 storage have been used successfully in tracking the evolution of CO2 plumes in the subsurface, these methods lack principled approaches to characterize uncertainties related to the CO2 plumes' behavior. Inclusion of systematic assessment of uncertainties is essential for risk mitigation for the following reasons: (i) CO2 plume-induced changes are small and seismic data is noisy; (ii) changes between regular and irregular (e.g., caused by leakage) flow patterns are small; and (iii) the reservoir properties that control the flow are strongly heterogeneous and typically only available as distributions. To arrive at a formulation capable of inferring flow patterns for regular and irregular flow from well and seismic data, the performance of conditional normalizing flow will be analyzed on a series of carefully designed numerical experiments. While the inferences presented are preliminary in the context of an early CO2 leakage detection system, the results do indicate that inferences with conditional normalizing flows can produce high-fidelity estimates for CO2 plumes with or without leakage. We are also confident that the inferred uncertainty is reasonable because it correlates well with the observed errors. This uncertainty stems from noise in the seismic data and from the lack of precise knowledge of the reservoir's fluid flow properties.

We study the problem of class distribution estimation under dataset shift. On the training dataset, both features and class labels are observed while on the test dataset only the features can be observed. The task then is the estimation of the distribution of the class labels, i.e. the estimation of the class prior probabilities, in the test dataset. Assumptions of invariance between the training joint distribution of features and labels and the test distribution can considerably facilitate this task. We discuss the assumptions of covariate shift, factorizable joint shift, and sparse joint shift and their implications for class distribution estimation.

In this work, we explore various topics that fall under the umbrella of Uncertainty in post-hoc Explainable AI (XAI) methods. We in particular focus on the class of additive feature attribution explanation methods. We first describe our specifications of uncertainty and compare various statistical and recent methods to quantify the same. Next, for a particular instance, we study the relationship between a feature's attribution and its uncertainty and observe little correlation. As a result, we propose a modification in the distribution from which perturbations are sampled in LIME-based algorithms such that the important features have minimal uncertainty without an increase in computational cost. Next, while studying how the uncertainty in explanations varies across the feature space of a classifier, we observe that a fraction of instances show near-zero uncertainty. We coin the term "stable instances" for such instances and diagnose factors that make an instance stable. Next, we study how an XAI algorithm's uncertainty varies with the size and complexity of the underlying model. We observe that the more complex the model, the more inherent uncertainty is exhibited by it. As a result, we propose a measure to quantify the relative complexity of a blackbox classifier. This could be incorporated, for example, in LIME-based algorithms' sampling densities, to help different explanation algorithms achieve tighter confidence levels. Together, the above measures would have a strong impact on making XAI models relatively trustworthy for the end-user as well as aiding scientific discovery.

Feature selection is critical in machine learning to reduce dimensionality and improve model accuracy and efficiency. The exponential growth in feature space dimensionality for modern datasets directly results in ambiguous samples and redundant features, which can severely degrade classification accuracy. Quantum machine learning offers potential advantages for addressing this challenge. In this paper, we propose a novel method, quantum support vector machine feature selection (QSVMF), integrating quantum support vector machines with multi-objective genetic algorithm. QSVMF optimizes multiple simultaneous objectives: maximizing classification accuracy, minimizing selected features and quantum circuit costs, and reducing feature covariance. We apply QSVMF for feature selection on a breast cancer dataset, comparing the performance of QSVMF against classical approaches with the selected features. Experimental results show that QSVMF achieves superior performance. Furthermore, The Pareto front solutions of QSVMF enable analysis of accuracy versus feature set size trade-offs, identifying extremely sparse yet accurate feature subsets. We contextualize the biological relevance of the selected features in terms of known breast cancer biomarkers. This work highlights the potential of quantum-based feature selection to enhance machine learning efficiency and performance on complex real-world data.

State-of-the-art diffusion models can generate highly realistic images based on various conditioning like text, segmentation, and depth. However, an essential aspect often overlooked is the specific camera geometry used during image capture. The influence of different optical systems on the final scene appearance is frequently overlooked. This study introduces a framework that intimately integrates a text-to-image diffusion model with the particular lens geometry used in image rendering. Our method is based on a per-pixel coordinate conditioning method, enabling the control over the rendering geometry. Notably, we demonstrate the manipulation of curvature properties, achieving diverse visual effects, such as fish-eye, panoramic views, and spherical texturing using a single diffusion model.

This paper presents a new approach for classifying 2D histopathology patches using few-shot learning. The method is designed to tackle a significant challenge in histopathology, which is the limited availability of labeled data. By applying a sliding window technique to histopathology slides, we illustrate the practical benefits of transductive learning (i.e., making joint predictions on patches) to achieve consistent and accurate classification. Our approach involves an optimization-based strategy that actively penalizes the prediction of a large number of distinct classes within each window. We conducted experiments on histopathological data to classify tissue classes in digital slides of liver cancer, specifically hepatocellular carcinoma. The initial results show the effectiveness of our method and its potential to enhance the process of automated cancer diagnosis and treatment, all while reducing the time and effort required for expert annotation.

Weak supervision (WS) frameworks are a popular way to bypass hand-labeling large datasets for training data-hungry models. These approaches synthesize multiple noisy but cheaply-acquired estimates of labels into a set of high-quality pseudolabels for downstream training. However, the synthesis technique is specific to a particular kind of label, such as binary labels or sequences, and each new label type requires manually designing a new synthesis algorithm. Instead, we propose a universal technique that enables weak supervision over any label type while still offering desirable properties, including practical flexibility, computational efficiency, and theoretical guarantees. We apply this technique to important problems previously not tackled by WS frameworks including learning to rank, regression, and learning in hyperbolic space. Theoretically, our synthesis approach produces a consistent estimators for learning some challenging but important generalizations of the exponential family model. Experimentally, we validate our framework and show improvement over baselines in diverse settings including real-world learning-to-rank and regression problems along with learning on hyperbolic manifolds.

Generated images of score-based models can suffer from errors in their spatial means, an effect, referred to as a color shift, which grows for larger images. This paper investigates a previously-introduced approach to mitigate color shifts in score-based diffusion models. We quantify the performance of a nonlinear bypass connection in the score network, designed to process the spatial mean of the input and to predict the mean of the score function. We show that this network architecture substantially improves the resulting quality of the generated images, and that this improvement is approximately independent of the size of the generated images. As a result, this modified architecture offers a simple solution for the color shift problem across image sizes. We additionally discuss the origin of color shifts in an idealized setting in order to motivate the approach.

This paper is concerned with functional learning by utilizing two-stage sampled distribution regression. We study a multi-penalty regularization algorithm for distribution regression under the framework of learning theory. The algorithm aims at regressing to real valued outputs from probability measures. The theoretical analysis on distribution regression is far from maturity and quite challenging, since only second stage samples are observable in practical setting. In the algorithm, to transform information from samples, we embed the distributions to a reproducing kernel Hilbert space $\mathcal{H}_K$ associated with Mercer kernel $K$ via mean embedding technique. The main contribution of the paper is to present a novel multi-penalty regularization algorithm to capture more features of distribution regression and derive optimal learning rates for the algorithm. The work also derives learning rates for distribution regression in the nonstandard setting $f_{\rho}\notin\mathcal{H}_K$, which is not explored in existing literature. Moreover, we propose a distribution regression-based distributed learning algorithm to face large-scale data or information challenge. The optimal learning rates are derived for the distributed learning algorithm. By providing new algorithms and showing their learning rates, we improve the existing work in different aspects in the literature.

Self-play is a technique for machine learning in multi-agent systems where a learning algorithm learns by interacting with copies of itself. Self-play is useful for generating large quantities of data for learning, but has the drawback that the agents the learner will face post-training may have dramatically different behavior than the learner came to expect by interacting with itself. For the special case of two-player constant-sum games, self-play that reaches Nash equilibrium is guaranteed to produce strategies that perform well against any post-training opponent; however, no such guarantee exists for multiplayer games. We show that in games that approximately decompose into a set of two-player constant-sum games (called constant-sum polymatrix games) where global $\epsilon$-Nash equilibria are boundedly far from Nash equilibria in each subgame (called subgame stability), any no-external-regret algorithm that learns by self-play will produce a strategy with bounded vulnerability. For the first time, our results identify a structural property of multiplayer games that enable performance guarantees for the strategies produced by a broad class of self-play algorithms. We demonstrate our findings through experiments on Leduc poker.

We study the problems of distributed online and bandit convex optimization against an adaptive adversary. We aim to minimize the average regret on $M$ machines working in parallel over $T$ rounds with $R$ intermittent communications. Assuming the underlying cost functions are convex and can be generated adaptively, our results show that collaboration is not beneficial when the machines have access to the first-order gradient information at the queried points. This is in contrast to the case for stochastic functions, where each machine samples the cost functions from a fixed distribution. Furthermore, we delve into the more challenging setting of federated online optimization with bandit (zeroth-order) feedback, where the machines can only access values of the cost functions at the queried points. The key finding here is identifying the high-dimensional regime where collaboration is beneficial and may even lead to a linear speedup in the number of machines. We further illustrate our findings through federated adversarial linear bandits by developing novel distributed single and two-point feedback algorithms. Our work is the first attempt towards a systematic understanding of federated online optimization with limited feedback, and it attains tight regret bounds in the intermittent communication setting for both first and zeroth-order feedback. Our results thus bridge the gap between stochastic and adaptive settings in federated online optimization.

In this paper, we develop a generic methodology to encode hierarchical causality structure among observed variables into a neural network in order to improve its predictive performance. The proposed methodology, called causality-informed neural network (CINN), leverages three coherent steps to systematically map the structural causal knowledge into the layer-to-layer design of neural network while strictly preserving the orientation of every causal relationship. In the first step, CINN discovers causal relationships from observational data via directed acyclic graph (DAG) learning, where causal discovery is recast as a continuous optimization problem to avoid the combinatorial nature. In the second step, the discovered hierarchical causality structure among observed variables is systematically encoded into neural network through a dedicated architecture and customized loss function. By categorizing variables in the causal DAG as root, intermediate, and leaf nodes, the hierarchical causal DAG is translated into CINN with a one-to-one correspondence between nodes in the causal DAG and units in the CINN while maintaining the relative order among these nodes. Regarding the loss function, both intermediate and leaf nodes in the DAG graph are treated as target outputs during CINN training so as to drive co-learning of causal relationships among different types of nodes. As multiple loss components emerge in CINN, we leverage the projection of conflicting gradients to mitigate gradient interference among the multiple learning tasks. Computational experiments across a broad spectrum of UCI data sets demonstrate substantial advantages of CINN in predictive performance over other state-of-the-art methods. In addition, an ablation study underscores the value of integrating structural and quantitative causal knowledge in enhancing the neural network's predictive performance incrementally.

Propositional satisfiability (SAT) is an NP-complete problem that impacts many research fields, such as planning, verification, and security. Mainstream modern SAT solvers are based on the Conflict-Driven Clause Learning (CDCL) algorithm. Recent work aimed to enhance CDCL SAT solvers using Graph Neural Networks (GNNs). However, so far this approach either has not made solving more effective, or required substantial GPU resources for frequent online model inferences. Aiming to make GNN improvements practical, this paper proposes an approach called NeuroBack, which builds on two insights: (1) predicting phases (i.e., values) of variables appearing in the majority (or even all) of the satisfying assignments are essential for CDCL SAT solving, and (2) it is sufficient to query the neural model only once for the predictions before the SAT solving starts. Once trained, the offline model inference allows NeuroBack to execute exclusively on the CPU, removing its reliance on GPU resources. To train NeuroBack, a new dataset called DataBack containing 120,286 data samples is created. Finally, NeuroBack is implemented as an enhancement to a state-of-the-art SAT solver called Kissat. As a result, it allowed Kissat to solve 5.2% more problems on the recent SAT competition problem set, SATCOMP-2022. NeuroBack therefore shows how machine learning can be harnessed to improve SAT solving in an effective and practical manner.

Tiger conservation necessitates the strategic deployment of multifaceted initiatives encompassing the preservation of ecological habitats, anti-poaching measures, and community involvement for sustainable growth in the tiger population. With the advent of artificial intelligence, tiger surveillance can be automated using object detection. In this paper, an accurate illumination invariant framework is proposed based on EnlightenGAN and YOLOv8 for tiger detection. The fine-tuned YOLOv8 model achieves a mAP score of 61% without illumination enhancement. The illumination enhancement improves the mAP by 0.7%. The approaches elevate the state-of-the-art performance on the ATRW dataset by approximately 6% to 7%.

Federated Learning (FL) has become an emerging norm for distributed model training, which enables multiple devices cooperatively to train a shared model utilizing their own datasets scheduled by a central server while keeping private data localized. However, during the training process, the non-independent-and-identically-distributed (Non-IID) data generated on heterogeneous clients and frequent communication across participants may significantly influence the training performance, slow down the convergent rate, and increase communication consumption. In this paper, we ameliorate the standard stochastic gradient descent approach by introducing the aggregated gradients at each local update epoch and propose an adaptive learning rate iterative algorithm that further takes the deviation between the local parameter and global parameter into account. The aforementioned adaptive learning rate design mechanism requires local information of all clients, which is challenging as there is no communication during the local update epochs. To obtain a decentralized adaptive learning rate for each client, we introduce the mean-field approach by utilizing two mean-field terms to estimate the average local parameters and gradients respectively without exchanging clients' local information with each other over time. Through theoretical analysis, we prove that our method can provide the convergence guarantee for model training and derive a convergent upper bound for the client drifting term. Extensive numerical results show that our proposed framework is superior to the state-of-the-art FL schemes in both model accuracy and convergent rate on real-world datasets with IID and Non-IID data distribution.

A Quantum Field Theory is defined by its interaction Hamiltonian, and linked to experimental data by the scattering matrix. The scattering matrix is calculated as a perturbative series, and represented succinctly as a first order differential equation in time. Neural Differential Equations (NDEs) learn the time derivative of a residual network's hidden state, and have proven efficacy in learning differential equations with physical constraints. Hence using an NDE to learn particle scattering matrices presents a possible experiment-theory phenomenological connection. In this paper, NDE models are used to learn $\phi^4$ theory, Scalar-Yukawa theory and Scalar Quantum Electrodynamics. A new NDE architecture is also introduced, the Fourier Neural Differential Equation (FNDE), which combines NDE integration and Fourier network convolution. The FNDE model demonstrates better generalisability than the non-integrated equivalent FNO model. It is also shown that by training on scattering data, the interaction Hamiltonian of a theory can be extracted from network parameters.

Self-supervised training methods for transformers have demonstrated remarkable performance across various domains. Previous transformer-based models, such as masked autoencoders (MAE), typically utilize a single normalization layer for both the [CLS] symbol and the tokens. We propose in this paper a simple modification that employs separate normalization layers for the tokens and the [CLS] symbol to better capture their distinct characteristics and enhance downstream task performance. Our method aims to alleviate the potential negative effects of using the same normalization statistics for both token types, which may not be optimally aligned with their individual roles. We empirically show that by utilizing a separate normalization layer, the [CLS] embeddings can better encode the global contextual information and are distributed more uniformly in its anisotropic space. When replacing the conventional normalization layer with the two separate layers, we observe an average 2.7% performance improvement over the image, natural language, and graph domains.

Graph neural networks (GNNs) are being increasingly used in many high-stakes tasks, and as a result, there is growing attention on their fairness recently. GNNs have been shown to be unfair as they tend to make discriminatory decisions toward certain demographic groups, divided by sensitive attributes such as gender and race. While recent works have been devoted to improving their fairness performance, they often require accessible demographic information. This greatly limits their applicability in real-world scenarios due to legal restrictions. To address this problem, we present a demographic-agnostic method to learn fair GNNs via knowledge distillation, namely FairGKD. Our work is motivated by the empirical observation that training GNNs on partial data (i.e., only node attributes or topology data) can improve their fairness, albeit at the cost of utility. To make a balanced trade-off between fairness and utility performance, we employ a set of fairness experts (i.e., GNNs trained on different partial data) to construct the synthetic teacher, which distills fairer and informative knowledge to guide the learning of the GNN student. Experiments on several benchmark datasets demonstrate that FairGKD, which does not require access to demographic information, significantly improves the fairness of GNNs by a large margin while maintaining their utility.

Analyzing the genomic information from the Pan-Cancer database can help us understand cancer-related factors and contribute to the cancer diagnosis and prognosis. However, existing computational methods and deep learning methods can not effectively find the deep correlations between tens of thousands of genes, which leads to precision loss. In this paper, we proposed a novel pretrained model called Gene-MOE to learn the general feature representations of the Pan-Cancer dataset and transfer the pretrained weights to the downstream tasks. The Gene-MOE fully exploits the mixture of expert (MOE) layers to learn rich feature representations of high-dimensional genes. At the same time, we build a mixture of attention expert (MOAE) model to learn the deep semantic relationships within genetic features. Finally, we proposed a new self-supervised pretraining strategy including loss function design, data enhancement, and optimization strategy to train the Gene-MOE and further improve the performance for the downstream analysis. We carried out cancer classification and survival analysis experiments based on the Gene-MOE. According to the survival analysis results on 14 cancer types, using Gene-MOE outperformed state-of-the-art models on 12 cancer types. According to the classification results, the total accuracy of the classification model for 33 cancer classifications reached 95.2\%. Through detailed feature analysis, we found the Gene-MOE model can learn rich feature representations of high-dimensional genes.

Coarse-grained (CG) models play a crucial role in the study of protein structures, protein thermodynamic properties, and protein conformation dynamics. Due to the information loss in the coarse-graining process, backmapping from CG to all-atom configurations is essential in many protein design and drug discovery applications when detailed atomic representations are needed for in-depth studies. Despite recent progress in data-driven backmapping approaches, devising a backmapping method that can be universally applied across various CG models and proteins remains unresolved. In this work, we propose BackDiff, a new generative model designed to achieve generalization and reliability in the protein backmapping problem. BackDiff leverages the conditional score-based diffusion model with geometric representations. Since different CG models can contain different coarse-grained sites which include selected atoms (CG atoms) and simple CG auxiliary functions of atomistic coordinates (CG auxiliary variables), we design a self-supervised training framework to adapt to different CG atoms, and constrain the diffusion sampling paths with arbitrary CG auxiliary variables as conditions. Our method facilitates end-to-end training and allows efficient sampling across different proteins and diverse CG models without the need for retraining. Comprehensive experiments over multiple popular CG models demonstrate BackDiff's superior performance to existing state-of-the-art approaches, and generalization and flexibility that these approaches cannot achieve. A pretrained BackDiff model can offer a convenient yet reliable plug-and-play solution for protein researchers, enabling them to investigate further from their own CG models.

It is a known problem that deep-learning-based end-to-end (E2E) channel coding systems depend on a known and differentiable channel model, due to the learning process and based on the gradient-descent optimization methods. This places the challenge to approximate or generate the channel or its derivative from samples generated by pilot signaling in real-world scenarios. Currently, there are two prevalent methods to solve this problem. One is to generate the channel via a generative adversarial network (GAN), and the other is to, in essence, approximate the gradient via reinforcement learning methods. Other methods include using score-based methods, variational autoencoders, or mutual-information-based methods. In this paper, we focus on generative models and, in particular, on a new promising method called diffusion models, which have shown a higher quality of generation in image-based tasks. We will show that diffusion models can be used in wireless E2E scenarios and that they work as good as Wasserstein GANs while having a more stable training procedure and a better generalization ability in testing.

This paper introduces a library for cross-simulator comparison of reinforcement learning models in traffic signal control tasks. This library is developed to implement recent state-of-the-art reinforcement learning models with extensible interfaces and unified cross-simulator evaluation metrics. It supports commonly-used simulators in traffic signal control tasks, including Simulation of Urban MObility(SUMO) and CityFlow, and multiple benchmark datasets for fair comparisons. We conducted experiments to validate our implementation of the models and to calibrate the simulators so that the experiments from one simulator could be referential to the other. Based on the validated models and calibrated environments, this paper compares and reports the performance of current state-of-the-art RL algorithms across different datasets and simulators. This is the first time that these methods have been compared fairly under the same datasets with different simulators.

A noisy training set usually leads to the degradation of the generalization and robustness of neural networks. In this paper, we propose a novel theoretically guaranteed clean sample selection framework for learning with noisy labels. Specifically, we first present a Scalable Penalized Regression (SPR) method, to model the linear relation between network features and one-hot labels. In SPR, the clean data are identified by the zero mean-shift parameters solved in the regression model. We theoretically show that SPR can recover clean data under some conditions. Under general scenarios, the conditions may be no longer satisfied; and some noisy data are falsely selected as clean data. To solve this problem, we propose a data-adaptive method for Scalable Penalized Regression with Knockoff filters (Knockoffs-SPR), which is provable to control the False-Selection-Rate (FSR) in the selected clean data. To improve the efficiency, we further present a split algorithm that divides the whole training set into small pieces that can be solved in parallel to make the framework scalable to large datasets. While Knockoffs-SPR can be regarded as a sample selection module for a standard supervised training pipeline, we further combine it with a semi-supervised algorithm to exploit the support of noisy data as unlabeled data. Experimental results on several benchmark datasets and real-world noisy datasets show the effectiveness of our framework and validate the theoretical results of Knockoffs-SPR. Our code and pre-trained models are available at https://github.com/Yikai-Wang/Knockoffs-SPR.

In goal-conditioned reinforcement learning (GCRL), sparse rewards present significant challenges, often obstructing efficient learning. Although multi-step GCRL can boost this efficiency, it can also lead to off-policy biases in target values. This paper dives deep into these biases, categorizing them into two distinct categories: "shooting" and "shifting". Recognizing that certain behavior policies can hasten policy refinement, we present solutions designed to capitalize on the positive aspects of these biases while minimizing their drawbacks, enabling the use of larger step sizes to speed up GCRL. An empirical study demonstrates that our approach ensures a resilient and robust improvement, even in ten-step learning scenarios, leading to superior learning efficiency and performance that generally surpass the baseline and several state-of-the-art multi-step GCRL benchmarks.

Changes in the data distribution at test time can have deleterious effects on the performance of predictive models $p(y|x)$. We consider situations where there are additional meta-data labels (such as group labels), denoted by $z$, that can account for such changes in the distribution. In particular, we assume that the prior distribution $p(y, z)$, which models the dependence between the class label $y$ and the "nuisance" factors $z$, may change across domains, either due to a change in the correlation between these terms, or a change in one of their marginals. However, we assume that the generative model for features $p(x|y,z)$ is invariant across domains. We note that this corresponds to an expanded version of the widely used "label shift" assumption, where the labels now also include the nuisance factors $z$. Based on this observation, we propose a test-time label shift correction that adapts to changes in the joint distribution $p(y, z)$ using EM applied to unlabeled samples from the target domain distribution, $p_t(x)$. Importantly, we are able to avoid fitting a generative model $p(x|y, z)$, and merely need to reweight the outputs of a discriminative model $p_s(y, z|x)$ trained on the source distribution. We evaluate our method, which we call "Test-Time Label-Shift Adaptation" (TTLSA), on several standard image and text datasets, as well as the CheXpert chest X-ray dataset, and show that it improves performance over methods that target invariance to changes in the distribution, as well as baseline empirical risk minimization methods. Code for reproducing experiments is available at https://github.com/nalzok/test-time-label-shift .

We present a novel method for precise 3D object localization in single images from a single calibrated camera using only 2D labels. No expensive 3D labels are needed. Thus, instead of using 3D labels, our model is trained with easy-to-annotate 2D labels along with the physical knowledge of the object's motion. Given this information, the model can infer the latent third dimension, even though it has never seen this information during training. Our method is evaluated on both synthetic and real-world datasets, and we are able to achieve a mean distance error of just 6 cm in our experiments on real data. The results indicate the method's potential as a step towards learning 3D object location estimation, where collecting 3D data for training is not feasible.

Recent advancements in large vision-language models enabled visual object detection in open-vocabulary scenarios, where object classes are defined in free-text formats during inference. In this paper, we aim to probe the state-of-the-art methods for open-vocabulary object detection to determine to what extent they understand fine-grained properties of objects and their parts. To this end, we introduce an evaluation protocol based on dynamic vocabulary generation to test whether models detect, discern, and assign the correct fine-grained description to objects in the presence of hard-negative classes. We contribute with a benchmark suite of increasing difficulty and probing different properties like color, pattern, and material. We further enhance our investigation by evaluating several state-of-the-art open-vocabulary object detectors using the proposed protocol and find that most existing solutions, which shine in standard open-vocabulary benchmarks, struggle to accurately capture and distinguish finer object details. We conclude the paper by highlighting the limitations of current methodologies and exploring promising research directions to overcome the discovered drawbacks. Data and code are available at https://github.com/lorebianchi98/FG-OVD.

The Hamiltonian of an isolated quantum mechanical system determines its dynamics and physical behaviour. This study investigates the possibility of learning and utilising a system's Hamiltonian and its variational thermal state estimation for data analysis techniques. For this purpose, we employ the method of Quantum Hamiltonian-based models for the generative modelling of simulated Large Hadron Collider data and demonstrate the representability of such data as a mixed state. In a further step, we use the learned Hamiltonian for anomaly detection, showing that different sample types can form distinct dynamical behaviours once treated as a quantum many-body system. We exploit these characteristics to quantify the difference between sample types. Our findings show that the methodologies designed for field theory computations can be utilised in machine learning applications to employ theoretical approaches in data analysis techniques.

We present a novel tool BertRLFuzzer, a BERT and Reinforcement Learning (RL) based fuzzer aimed at finding security vulnerabilities for Web applications. BertRLFuzzer works as follows: given a set of seed inputs, the fuzzer performs grammar-adhering and attack-provoking mutation operations on them to generate candidate attack vectors. The key insight of BertRLFuzzer is the use of RL with a BERT model as an agent to guide the fuzzer to efficiently learn grammar-adhering and attack-provoking mutation operators. In order to establish the efficacy of BertRLFuzzer we compare it against a total of 13 black box and white box fuzzers over a benchmark of 9 victim websites with over 16K LOC. We observed a significant improvement relative to the nearest competing tool in terms of time to first attack (54% less), new vulnerabilities found (17 new vulnerabilities), and attack rate (4.4% more attack vectors generated).

Recent work using pretrained transformers has shown impressive performance when fine-tuned with data from the downstream problem of interest. However, they struggle to retain that performance when the data characteristics changes. In this paper, we focus on continual learning, where a pre-trained transformer is updated to perform well on new data, while retaining its performance on data it was previously trained on. Earlier works have tackled this primarily through methods inspired from prompt tuning. We question this choice, and investigate the applicability of Low Rank Adaptation (LoRA) to continual learning. On a range of domain-incremental learning benchmarks, our LoRA-based solution, CoLoR, yields state-of-the-art performance, while still being as parameter efficient as the prompt tuning based methods.

The aim of this short note is to show that Denoising Diffusion Probabilistic Model DDPM, a non-homogeneous discrete-time Markov process, can be represented by a time-homogeneous continuous-time Markov process observed at non-uniformly sampled discrete times. Surprisingly, this continuous-time Markov process is the well-known and well-studied Ornstein-Ohlenbeck (OU) process, which was developed in 1930's for studying Brownian particles in Harmonic potentials. We establish the formal equivalence between DDPM and the OU process using its analytical solution. We further demonstrate that the design problem of the noise scheduler for non-homogeneous DDPM is equivalent to designing observation times for the OU process. We present several heuristic designs for observation times based on principled quantities such as auto-variance and Fisher Information and connect them to ad hoc noise schedules for DDPM. Interestingly, we show that the Fisher-Information-motivated schedule corresponds exactly the cosine schedule, which was developed without any theoretical foundation but is the current state-of-the-art noise schedule.

Robotic-assisted surgical systems have demonstrated significant potential in enhancing surgical precision and minimizing human errors. However, existing systems lack the ability to accommodate the unique preferences and requirements of individual surgeons. Additionally, they primarily focus on general surgeries (e.g., laparoscopy) and are not suitable for highly precise microsurgeries, such as ophthalmic procedures. Thus, we propose a simulation-based image-guided approach for surgeon-centered autonomous agents that can adapt to the individual surgeon's skill level and preferred surgical techniques during ophthalmic cataract surgery. Our approach utilizes a simulated environment to train reinforcement and imitation learning agents guided by image data to perform all tasks of the incision phase of cataract surgery. By integrating the surgeon's actions and preferences into the training process with the surgeon-in-the-loop, our approach enables the robot to implicitly learn and adapt to the individual surgeon's unique approach through demonstrations. This results in a more intuitive and personalized surgical experience for the surgeon. Simultaneously, it ensures consistent performance for the autonomous robotic apprentice. We define and evaluate the effectiveness of our approach using our proposed metrics; and highlight the trade-off between a generic agent and a surgeon-centered adapted agent. Moreover, our approach has the potential to extend to other ophthalmic surgical procedures, opening the door to a new generation of surgeon-in-the-loop autonomous surgical robots. We provide an open-source simulation framework for future development and reproducibility.

Imitation learning, which learns agent policy by mimicking expert demonstration, has shown promising results in many applications such as medical treatment regimes and self-driving vehicles. However, it remains a difficult task to interpret control policies learned by the agent. Difficulties mainly come from two aspects: 1) agents in imitation learning are usually implemented as deep neural networks, which are black-box models and lack interpretability; 2) the latent causal mechanism behind agents' decisions may vary along the trajectory, rather than staying static throughout time steps. To increase transparency and offer better interpretability of the neural agent, we propose to expose its captured knowledge in the form of a directed acyclic causal graph, with nodes being action and state variables and edges denoting the causal relations behind predictions. Furthermore, we design this causal discovery process to be state-dependent, enabling it to model the dynamics in latent causal graphs. Concretely, we conduct causal discovery from the perspective of Granger causality and propose a self-explainable imitation learning framework, {\method}. The proposed framework is composed of three parts: a dynamic causal discovery module, a causality encoding module, and a prediction module, and is trained in an end-to-end manner. After the model is learned, we can obtain causal relations among states and action variables behind its decisions, exposing policies learned by it. Experimental results on both synthetic and real-world datasets demonstrate the effectiveness of the proposed {\method} in learning the dynamic causal graphs for understanding the decision-making of imitation learning meanwhile maintaining high prediction accuracy.

Causal inference studies whether the presence of a variable influences an observed outcome. As measured by quantities such as the "average treatment effect," this paradigm is employed across numerous biological fields, from vaccine and drug development to policy interventions. Unfortunately, the majority of these methods are often limited to univariate outcomes. Our work generalizes causal estimands to outcomes with any number of dimensions or any measurable space, and formulates traditional causal estimands for nominal variables as causal discrepancy tests. We propose a simple technique for adjusting universally consistent conditional independence tests and prove that these tests are universally consistent causal discrepancy tests. Numerical experiments illustrate that our method, Causal CDcorr, leads to improvements in both finite sample validity and power when compared to existing strategies. Our methods are all open source and available at github.com/ebridge2/cdcorr.

Despite the effectiveness in improving the robustness of neural networks, adversarial training has suffered from the natural accuracy degradation problem, i.e., accuracy on natural samples has reduced significantly. In this study, we reveal that natural accuracy degradation is highly related to the disruption of the natural sample topology in the representation space by quantitative and qualitative experiments. Based on this observation, we propose Topology-pReserving Adversarial traINing (TRAIN) to alleviate the problem by preserving the topology structure of natural samples from a standard model trained only on natural samples during adversarial training. As an additional regularization, our method can easily be combined with various popular adversarial training algorithms in a plug-and-play manner, taking advantage of both sides. Extensive experiments on CIFAR-10, CIFAR-100, and Tiny ImageNet show that our proposed method achieves consistent and significant improvements over various strong baselines in most cases. Specifically, without additional data, our proposed method achieves up to 8.78% improvement in natural accuracy and 4.50% improvement in robust accuracy.

Self-supervised learning (SSL) has great potential for molecular representation learning given the complexity of molecular graphs, the large amounts of unlabelled data available, the considerable cost of obtaining labels experimentally, and the hence often only small training datasets. The importance of the topic is reflected in the variety of paradigms and architectures that have been investigated recently. Yet the differences in performance seem often minor and are barely understood to date. In this paper, we study SSL based on persistent homology (PH), a mathematical tool for modeling topological features of data that persist across multiple scales. It has several unique features which particularly suit SSL, naturally offering: different views of the data, stability in terms of distance preservation, and the opportunity to flexibly incorporate domain knowledge. We (1) investigate an autoencoder, which shows the general representational power of PH, and (2) propose a contrastive loss that complements existing approaches. We rigorously evaluate our approach for molecular property prediction and demonstrate its particular features in improving the embedding space: after SSL, the representations are better and offer considerably more predictive power than the baselines over different probing tasks; our loss increases baseline performance, sometimes largely; and we often obtain substantial improvements over very small datasets, a common scenario in practice.

We propose and theoretically analyze an approach for planning with an approximate model in reinforcement learning that can reduce the adverse impact of model error. If the model is accurate enough, it accelerates the convergence to the true value function too. One of its key components is the MaxEnt Model Correction (MoCo) procedure that corrects the model's next-state distributions based on a Maximum Entropy density estimation formulation. Based on MoCo, we introduce the Model Correcting Value Iteration (MoCoVI) algorithm, and its sampled-based variant MoCoDyna. We show that MoCoVI and MoCoDyna's convergence can be much faster than the conventional model-free algorithms. Unlike traditional model-based algorithms, MoCoVI and MoCoDyna effectively utilize an approximate model and still converge to the correct value function.

In this paper we present an improved approach to prototypical semi-supervised learning for computer vision, in the context of leveraging a frozen foundation model as the backbone of our neural network. As a general tool, we propose parametric von-Mises Fisher Stochastic Neighbour Embedding (vMF-SNE) to create mappings with neural networks between high-dimensional latent spaces that preserve local structure. This enables us to pretrain the projection head of our network using the high-quality embeddings of the foundation model with vMF-SNE. We also propose soft multi-view pseudolabels, where predictions across multiple views are combined to provide a more reliable supervision signal compared to a consistency or swapped assignment approach. We demonstrate that these ideas improve upon P}redicting View-Assignments with Support Samples (PAWS), a current state-of-the-art semi-supervised learning method, as well as Robust PAWS (RoPAWS), over a range of benchmarking datasets. We also introduce simple $k$-means prototype selection, a technique that provides superior performance to other unsupervised label selection approaches in this context. These changes improve upon PAWS by an average of +2.9% for CIFAR-10 and +5.7% for CIFAR-100 with four labels per class, and by +15.2% for DeepWeeds, a particularly challenging dataset for semi-supervised learning. We also achieve new state-of-the-art results in semi-supervised learning in this small label regime for CIFAR-10 - 95.8% (+0.7%) and CIFAR-100 - 76.6% (+12.0%).

Embedding graphs in continous spaces is a key factor in designing and developing algorithms for automatic information extraction to be applied in diverse tasks (e.g., learning, inferring, predicting). The reliability of graph embeddings directly depends on how much the geometry of the continuous space matches the graph structure. Manifolds are mathematical structure that can enable to incorporate in their topological spaces the graph characteristics, and in particular nodes distances. State-of-the-art of manifold-based graph embedding algorithms take advantage of the assumption that the projection on a tangential space of each point in the manifold (corresponding to a node in the graph) would locally resemble a Euclidean space. Although this condition helps in achieving efficient analytical solutions to the embedding problem, it does not represent an adequate set-up to work with modern real life graphs, that are characterized by weighted connections across nodes often computed over sparse datasets with missing records. In this work, we introduce a new class of manifold, named soft manifold, that can solve this situation. In particular, soft manifolds are mathematical structures with spherical symmetry where the tangent spaces to each point are hypocycloids whose shape is defined according to the velocity of information propagation across the data points. Using soft manifolds for graph embedding, we can provide continuous spaces to pursue any task in data analysis over complex datasets. Experimental results on reconstruction tasks on synthetic and real datasets show how the proposed approach enable more accurate and reliable characterization of graphs in continuous spaces with respect to the state-of-the-art.

Traditional machine learning training is a static process that lacks real-time adaptability of hyperparameters. Popular tuning solutions during runtime involve checkpoints and schedulers. Adjusting hyper-parameters usually require the program to be restarted, wasting utilization and time, while placing unnecessary strain on memory and processors. We present LiveTune, a new framework allowing real-time parameter tuning during training through LiveVariables. Live Variables allow for a continuous training session by storing parameters on designated ports on the system, allowing them to be dynamically adjusted. Extensive evaluations of our framework show saving up to 60 seconds and 5.4 Kilojoules of energy per hyperparameter change.

Transformers have dominated empirical machine learning models of natural language processing. In this paper, we introduce basic concepts of Transformers and present key techniques that form the recent advances of these models. This includes a description of the standard Transformer architecture, a series of model refinements, and common applications. Given that Transformers and related deep learning techniques might be evolving in ways we have never seen, we cannot dive into all the model details or cover all the technical areas. Instead, we focus on just those concepts that are helpful for gaining a good understanding of Transformers and their variants. We also summarize the key ideas that impact this field, thereby yielding some insights into the strengths and limitations of these models.

Molecular representation learning (MRL) is a key step to build the connection between machine learning and chemical science. In particular, it encodes molecules as numerical vectors preserving the molecular structures and features, on top of which the downstream tasks (e.g., property prediction) can be performed. Recently, MRL has achieved considerable progress, especially in methods based on deep molecular graph learning. In this survey, we systematically review these graph-based molecular representation techniques, especially the methods incorporating chemical domain knowledge. Specifically, we first introduce the features of 2D and 3D molecular graphs. Then we summarize and categorize MRL methods into three groups based on their input. Furthermore, we discuss some typical chemical applications supported by MRL. To facilitate studies in this fast-developing area, we also list the benchmarks and commonly used datasets in the paper. Finally, we share our thoughts on future research directions.

Recent advances in Competitive Self-Play (CSP) have achieved, or even surpassed, human level performance in complex game environments such as Dota 2 and StarCraft II using Distributed Multi-Agent Reinforcement Learning (MARL). One core component of these methods relies on creating a pool of learning agents -- consisting of the Main Agent, past versions of this agent, and Exploiter Agents -- where Exploiter Agents learn counter-strategies to the Main Agents. A key drawback of these approaches is the large computational cost and physical time that is required to train the system, making them impractical to deploy in highly iterative real-life settings such as video game productions. In this paper, we propose the Minimax Exploiter, a game theoretic approach to exploiting Main Agents that leverages knowledge of its opponents, leading to significant increases in data efficiency. We validate our approach in a diversity of settings, including simple turn based games, the arcade learning environment, and For Honor, a modern video game. The Minimax Exploiter consistently outperforms strong baselines, demonstrating improved stability and data efficiency, leading to a robust CSP-MARL method that is both flexible and easy to deploy.  ( 2 min )

Recent advances in generative models, such as diffusion models, have made generating high-quality synthetic images widely accessible. Prior works have shown that training on synthetic images improves many perception tasks, such as image classification, object detection, and semantic segmentation. We are the first to explore generative data augmentations for scribble-supervised semantic segmentation. We propose a generative data augmentation method that leverages a ControlNet diffusion model conditioned on semantic scribbles to produce high-quality training data. However, naive implementations of generative data augmentations may inadvertently harm the performance of the downstream segmentor rather than improve it. We leverage classifier-free diffusion guidance to enforce class consistency and introduce encode ratios to trade off data diversity for data realism. Using the guidance scale and encode ratio, we are able to generate a spectrum of high-quality training images. We propose multiple augmentation schemes and find that these schemes significantly impact model performance, especially in the low-data regime. Our framework further reduces the gap between the performance of scribble-supervised segmentation and that of fully-supervised segmentation. We also show that our framework significantly improves segmentation performance on small datasets, even surpassing fully-supervised segmentation.  ( 2 min )

When pneumonia is not found on a chest X-ray, should the report describe this negative observation or omit it? We argue that this question cannot be answered from the X-ray alone and requires a pragmatic perspective, which captures the communicative goal that radiology reports serve between radiologists and patients. However, the standard image-to-text formulation for radiology report generation fails to incorporate such pragmatic intents. Following this pragmatic perspective, we demonstrate that the indication, which describes why a patient comes for an X-ray, drives the mentions of negative observations and introduce indications as additional input to report generation. With respect to the output, we develop a framework to identify uninferable information from the image as a source of model hallucinations, and limit them by cleaning groundtruth reports. Finally, we use indications and cleaned groundtruth reports to develop pragmatic models, and show that they outperform existing methods not only in new pragmatics-inspired metrics (+4.3 Negative F1) but also in standard metrics (+6.3 Positive F1 and +11.0 BLEU-2).  ( 2 min )

Given the growing importance of AI literacy, we decided to write this tutorial to help narrow the gap between the discourse among those who study language models -- the core technology underlying ChatGPT and similar products -- and those who are intrigued and want to learn more about them. In short, we believe the perspective of researchers and educators can add some clarity to the public's understanding of the technologies beyond what's currently available, which tends to be either extremely technical or promotional material generated about products by their purveyors. Our approach teases apart the concept of a language model from products built on them, from the behaviors attributed to or desired from those products, and from claims about similarity to human cognition. As a starting point, we (1) offer a scientific viewpoint that focuses on questions amenable to study through experimentation; (2) situate language models as they are today in the context of the research that led to their development; and (3) describe the boundaries of what is known about the models at this writing.  ( 2 min )

Sparse adversarial attacks fool deep neural networks (DNNs) through minimal pixel perturbations, typically regularized by the $\ell_0$ norm. Recent efforts have replaced this norm with a structural sparsity regularizer, such as the nuclear group norm, to craft group-wise sparse adversarial attacks. The resulting perturbations are thus explainable and hold significant practical relevance, shedding light on an even greater vulnerability of DNNs than previously anticipated. However, crafting such attacks poses an optimization challenge, as it involves computing norms for groups of pixels within a non-convex objective. In this paper, we tackle this challenge by presenting an algorithm that simultaneously generates group-wise sparse attacks within semantically meaningful areas of an image. In each iteration, the core operation of our algorithm involves the optimization of a quasinorm adversarial loss. This optimization is achieved by employing the $1/2$-quasinorm proximal operator for some iterations, a method tailored for nonconvex programming. Subsequently, the algorithm transitions to a projected Nesterov's accelerated gradient descent with $2$-norm regularization applied to perturbation magnitudes. We rigorously evaluate the efficacy of our novel attack in both targeted and non-targeted attack scenarios, on CIFAR-10 and ImageNet datasets. When compared to state-of-the-art methods, our attack consistently results in a remarkable increase in group-wise sparsity, e.g., an increase of $48.12\%$ on CIFAR-10 and $40.78\%$ on ImageNet (average case, targeted attack), all while maintaining lower perturbation magnitudes. Notably, this performance is complemented by a significantly faster computation time and a $100\%$ attack success rate.  ( 2 min )

Transformer-based models, such as BERT and GPT, have been widely adopted in natural language processing (NLP) due to their exceptional performance. However, recent studies show their vulnerability to textual adversarial attacks where the model's output can be misled by intentionally manipulating the text inputs. Despite various methods that have been proposed to enhance the model's robustness and mitigate this vulnerability, many require heavy consumption resources (e.g., adversarial training) or only provide limited protection (e.g., defensive dropout). In this paper, we propose a novel method called dynamic attention, tailored for the transformer architecture, to enhance the inherent robustness of the model itself against various adversarial attacks. Our method requires no downstream task knowledge and does not incur additional costs. The proposed dynamic attention consists of two modules: (I) attention rectification, which masks or weakens the attention value of the chosen tokens, and (ii) dynamic modeling, which dynamically builds the set of candidate tokens. Extensive experiments demonstrate that dynamic attention significantly mitigates the impact of adversarial attacks, improving up to 33\% better performance than previous methods against widely-used adversarial attacks. The model-level design of dynamic attention enables it to be easily combined with other defense methods (e.g., adversarial training) to further enhance the model's robustness. Furthermore, we demonstrate that dynamic attention preserves the state-of-the-art robustness space of the original model compared to other dynamic modeling methods.  ( 3 min )

The combination of strong visual backbones and Large Language Model (LLM) reasoning has led to Large Multimodal Models (LMMs) becoming the current standard for a wide range of vision and language (VL) tasks. However, recent research has shown that even the most advanced LMMs still struggle to capture aspects of compositional visual reasoning, such as attributes and relationships between objects. One solution is to utilize scene graphs (SGs)--a formalization of objects and their relations and attributes that has been extensively used as a bridge between the visual and textual domains. Yet, scene graph data requires scene graph annotations, which are expensive to collect and thus not easily scalable. Moreover, finetuning an LMM based on SG data can lead to catastrophic forgetting of the pretraining objective. To overcome this, inspired by chain-of-thought methods, we propose Compositional Chain-of-Thought (CCoT), a novel zero-shot Chain-of-Thought prompting method that utilizes SG representations in order to extract compositional knowledge from an LMM. Specifically, we first generate an SG using the LMM, and then use that SG in the prompt to produce a response. Through extensive experiments, we find that the proposed CCoT approach not only improves LMM performance on several vision and language VL compositional benchmarks but also improves the performance of several popular LMMs on general multimodal benchmarks, without the need for fine-tuning or annotated ground-truth SGs.  ( 2 min )

The unstructured nature of data used in foundation model development is a challenge to systematic analyses for making data use and documentation decisions. From a Responsible AI perspective, these decisions often rely upon understanding how people are represented in data. We propose a framework designed to guide analysis of human representation in unstructured data and identify downstream risks. We apply the framework in two toy examples using the Common Crawl web text corpus (C4) and LAION-400M. We also propose a set of hypothetical action steps in service of dataset use, development, and documentation.  ( 2 min )

Crop management decision support systems are specialized tools for farmers that reduce the riskiness of revenue streams, especially valuable for use under the current climate changes that impact agricultural productivity. Unfortunately, small farmers in India, who could greatly benefit from these tools, do not have access to them. In this paper, we model an individual greenhouse as a Markov Decision Process (MDP) and adapt Li and Li (2019)'s Follow the Weighted Leader (FWL) online learning algorithm to offer crop planning advice. We successfully produce utility-preserving cropping pattern suggestions in simulations. When we compare against an offline planning algorithm, we achieve the same cumulative revenue with greatly reduced runtime.  ( 2 min )

Generative models can produce impressively realistic images. This paper demonstrates that generated images have geometric features different from those of real images. We build a set of collections of generated images, prequalified to fool simple, signal-based classifiers into believing they are real. We then show that prequalified generated images can be identified reliably by classifiers that only look at geometric properties. We use three such classifiers. All three classifiers are denied access to image pixels, and look only at derived geometric features. The first classifier looks at the perspective field of the image, the second looks at lines detected in the image, and the third looks at relations between detected objects and shadows. Our procedure detects generated images more reliably than SOTA local signal based detectors, for images from a number of distinct generators. Saliency maps suggest that the classifiers can identify geometric problems reliably. We conclude that current generators cannot reliably reproduce geometric properties of real images.  ( 2 min )

Model-agnostic anomaly detection is one of the promising approaches in the search for new beyond the standard model physics. In this paper, we present Set-VAE, a particle-based variational autoencoder (VAE) anomaly detection algorithm. We demonstrate a 2x signal efficiency gain compared with traditional subjettiness-based jet selection. Furthermore, with an eye to the future deployment to trigger systems, we propose the CLIP-VAE, which reduces the inference-time cost of anomaly detection by using the KL-divergence loss as the anomaly score, resulting in a 2x acceleration in latency and reducing the caching requirement.  ( 2 min )

The human brain is a complex organ, still completely undiscovered, that controls almost all the parts of the body. Apart from survival, the human brain stimulates emotions. Recent research indicates that brain signals can be very effective for emotion recognition. However, which parts of the brain exhibit most of the emotions is still under-explored. In this study, we empirically analyze the contribution of each part of the brain in exhibiting emotions. We use the DEAP dataset to find the most optimal electrode set which eventually leads to the effective brain part associated with emotions. We use Fast Fourier Transformation for effective feature extraction and a 1D-CNN with residual connection for classification. Though 32 electrodes from the DEAP dataset got an accuracy of 97.34%, only 12 electrodes (F7, P8, O1, F8, C4, T7, PO3, Fp1, Fp2, O2, P3, and Fz) achieve 95.81% accuracy. This study also shows that adding more than 10 electrodes does not improve performance significantly. Moreover, the frontal lobe is the most important for recognizing emotion.  ( 2 min )

This study investigated the performance, explainability, and robustness of deployed artificial intelligence (AI) models in predicting mortality during the COVID-19 pandemic and beyond. The first study of its kind, we found that Bayesian Neural Networks (BNNs) and intelligent training techniques allowed our models to maintain performance amidst significant data shifts. Our results emphasize the importance of developing robust AI models capable of matching or surpassing clinician predictions, even under challenging conditions. Our exploration of model explainability revealed that stochastic models generate more diverse and personalized explanations thereby highlighting the need for AI models that provide detailed and individualized insights in real-world clinical settings. Furthermore, we underscored the importance of quantifying uncertainty in AI models which enables clinicians to make better-informed decisions based on reliable predictions. Our study advocates for prioritizing implementation science in AI research for healthcare and ensuring that AI solutions are practical, beneficial, and sustainable in real-world clinical environments. By addressing unique challenges and complexities in healthcare settings, researchers can develop AI models that effectively improve clinical practice and patient outcomes.  ( 3 min )

Evaluating the accuracy of outputs generated by Large Language Models (LLMs) is especially important in the climate science and policy domain. We introduce the Expert Confidence in Climate Statements (ClimateX) dataset, a novel, curated, expert-labeled dataset consisting of 8094 climate statements collected from the latest Intergovernmental Panel on Climate Change (IPCC) reports, labeled with their associated confidence levels. Using this dataset, we show that recent LLMs can classify human expert confidence in climate-related statements, especially in a few-shot learning setting, but with limited (up to 47%) accuracy. Overall, models exhibit consistent and significant over-confidence on low and medium confidence statements. We highlight implications of our results for climate communication, LLMs evaluation strategies, and the use of LLMs in information retrieval systems.  ( 2 min )

Although much work has been done on explainability in the computer vision and natural language processing (NLP) fields, there is still much work to be done to explain methods applied to time series as time series by nature can not be understood at first sight. In this paper, we present a Deep Neural Network (DNN) in a teacher-student architecture (distillation model) that offers interpretability in time-series classification tasks. The explainability of our approach is based on transforming the time series to 2D plots and applying image highlight methods (such as LIME and GradCam), making the predictions interpretable. At the same time, the proposed approach offers increased accuracy competing with the baseline model with the trade-off of increasing the training time.  ( 2 min )

Neuroscience studies have shown that the human visual system utilizes high-level feedback information to guide lower-level perception, enabling adaptation to signals of different characteristics. In light of this, we propose Feedback multi-Level feature Extractor (Flex) to incorporate a similar mechanism for object detection. Flex refines feature selection based on image-wise and instance-level feedback information in response to image quality variation and classification uncertainty. Experimental results show that Flex offers consistent improvement to a range of existing SOTA methods on the challenging aerial object detection datasets including DOTA-v1.0, DOTA-v1.5, and HRSC2016. Although the design originates in aerial image detection, further experiments on MS COCO also reveal our module's efficacy in general detection models. Quantitative and qualitative analyses indicate that the improvements are closely related to image qualities, which match our motivation.  ( 2 min )

Contemporary Speech Understanding (SU) involves a sophisticated pipeline: capturing real-time voice input, the pipeline encompasses a deep neural network with an encoder-decoder architecture enhanced by beam search. This network periodically assesses attention and Connectionist Temporal Classification (CTC) scores in its autoregressive output. This paper aims to enhance SU performance on edge devices with limited resources. It pursues two intertwined goals: accelerating on-device execution and efficiently handling inputs that surpass the on-device model's capacity. While these objectives are well-established, we introduce innovative solutions that specifically address SU's distinctive challenges: 1. Late contextualization: Enables the parallel execution of a model's attentive encoder during input ingestion. 2. Pilot decoding: Alleviates temporal load imbalances. 3. Autoregression offramps: Facilitate offloading decisions based on partial output sequences. Our techniques seamlessly integrate with existing SU models, pipelines, and frameworks, allowing for independent or combined application. Together, they constitute a hybrid solution for edge SU, exemplified by our prototype, XYZ. Evaluated on platforms equipped with 6-8 Arm cores, our system achieves State-of-the-Art (SOTA) accuracy, reducing end-to-end latency by 2x and halving offloading requirements.  ( 2 min )

Photonic computing is a compelling avenue for performing highly efficient matrix multiplication, a crucial operation in Deep Neural Networks (DNNs). While this method has shown great success in DNN inference, meeting the high precision demands of DNN training proves challenging due to the precision limitations imposed by costly data converters and the analog noise inherent in photonic hardware. This paper proposes Mirage, a photonic DNN training accelerator that overcomes the precision challenges in photonic hardware using the Residue Number System (RNS). RNS is a numeral system based on modular arithmetic$\unicode{x2014}$allowing us to perform high-precision operations via multiple low-precision modular operations. In this work, we present a novel micro-architecture and dataflow for an RNS-based photonic tensor core performing modular arithmetic in the analog domain. By combining RNS and photonics, Mirage provides high energy efficiency without compromising precision and can successfully train state-of-the-art DNNs achieving accuracy comparable to FP32 training. Our study shows that on average across several DNNs when compared to systolic arrays, Mirage achieves more than $23.8\times$ faster training and $32.1\times$ lower EDP in an iso-energy scenario and consumes $42.8\times$ lower power with comparable or better EDP in an iso-area scenario.  ( 2 min )

Molecular representation learning (MRL) is a powerful tool for bridging the gap between machine learning and chemical sciences, as it converts molecules into numerical representations while preserving their chemical features. These encoded representations serve as a foundation for various downstream biochemical studies, including property prediction and drug design. MRL has had great success with proteins and general biomolecule datasets. Yet, in the growing sub-field of glycoscience (the study of carbohydrates, where longer carbohydrates are also called glycans), MRL methods have been barely explored. This under-exploration can be primarily attributed to the limited availability of comprehensive and well-curated carbohydrate-specific datasets and a lack of Machine learning (ML) pipelines specifically tailored to meet the unique problems presented by carbohydrate data. Since interpreting and annotating carbohydrate-specific data is generally more complicated than protein data, domain experts are usually required to get involved. The existing MRL methods, predominately optimized for proteins and small biomolecules, also cannot be directly used in carbohydrate applications without special modifications. To address this challenge, accelerate progress in glycoscience, and enrich the data resources of the MRL community, we introduce GlycoNMR. GlycoNMR contains two laboriously curated datasets with 2,609 carbohydrate structures and 211,543 annotated nuclear magnetic resonance (NMR) chemical shifts for precise atomic-level prediction. We tailored carbohydrate-specific features and adapted existing MRL models to tackle this problem effectively. For illustration, we benchmark four modified MRL models on our new datasets.  ( 3 min )

Generative models have been shown to be capable of synthesizing highly detailed and realistic images. It is natural to suspect that they implicitly learn to model some image intrinsics such as surface normals, depth, or shadows. In this paper, we present compelling evidence that generative models indeed internally produce high-quality scene intrinsic maps. We introduce Intrinsic LoRA (I LoRA), a universal, plug-and-play approach that transforms any generative model into a scene intrinsic predictor, capable of extracting intrinsic scene maps directly from the original generator network without needing additional decoders or fully fine-tuning the original network. Our method employs a Low-Rank Adaptation (LoRA) of key feature maps, with newly learned parameters that make up less than 0.6% of the total parameters in the generative model. Optimized with a small set of labeled images, our model-agnostic approach adapts to various generative architectures, including Diffusion models, GANs, and Autoregressive models. We show that the scene intrinsic maps produced by our method compare well with, and in some cases surpass those generated by leading supervised techniques.  ( 2 min )

Conjugate heat transfer (CHT) models are vital for the design of many engineering systems. However, high-fidelity CHT models are computationally intensive, which limits their use in applications such as design optimization, where hundreds to thousands of model evaluations are required. In this work, we develop a modular deep convolutional encoder-decoder hierarchical (DeepEDH) neural network, a novel deep-learning-based surrogate modeling methodology for computationally intensive CHT models. Leveraging convective temperature dependencies, we propose a two-stage temperature prediction architecture that couples velocity and temperature models. The proposed DeepEDH methodology is demonstrated by modeling the pressure, velocity, and temperature fields for a liquid-cooled cold-plate-based battery thermal management system with variable channel geometry. A computational model of the cold plate is developed and solved using the finite element method (FEM), generating a dataset of 1,500 simulations. The FEM results are transformed and scaled from unstructured to structured, image-like meshes to create training and test datasets. The DeepEDH methodology's performance is examined in relation to data scaling, training dataset size, and network depth. Our performance analysis covers the impact of the novel architecture, separate field models, output geometry masks, multi-stage temperature models, and optimizations of the hyperparameters and architecture. Furthermore, we quantify the influence of the CHT thermal boundary condition on surrogate model performance, highlighting improved temperature model performance with higher heat fluxes. Compared to other deep learning neural network surrogate models, such as U-Net and DenseED, the proposed DeepEDH methodology for CHT models exhibits up to a 65% enhancement in the coefficient of determination ($R^{2}$).  ( 3 min )

Astronomical transients, such as supernovae and other rare stellar explosions, have been instrumental in some of the most significant discoveries in astronomy. New astronomical sky surveys will soon record unprecedented numbers of transients as sparsely and irregularly sampled multivariate time series. To improve our understanding of the physical mechanisms of transients and their progenitor systems, early-time measurements are necessary. Prioritizing the follow-up of transients based on their age along with their class is crucial for new surveys. To meet this demand, we present the first method of predicting the age of transients in real-time from multi-wavelength time-series observations. We build a Bayesian probabilistic recurrent neural network. Our method can accurately predict the age of a transient with robust uncertainties as soon as it is initially triggered by a survey telescope. This work will be essential for the advancement of our understanding of the numerous young transients being detected by ongoing and upcoming astronomical surveys.  ( 2 min )

We introduce a diffusion-based generative model to describe the distribution of galaxies in our Universe directly as a collection of points in 3-D space (coordinates) optionally with associated attributes (e.g., velocities and masses), without resorting to binning or voxelization. The custom diffusion model can be used both for emulation, reproducing essential summary statistics of the galaxy distribution, as well as inference, by computing the conditional likelihood of a galaxy field. We demonstrate a first application to massive dark matter haloes in the Quijote simulation suite. This approach can be extended to enable a comprehensive analysis of cosmological data, circumventing limitations inherent to summary statistic -- as well as neural simulation-based inference methods.  ( 2 min )

Loss functions serve as the foundation of supervised learning and are often chosen prior to model development. To avoid potentially ad hoc choices of losses, statistical decision theory describes a desirable property for losses known as \emph{properness}, which asserts that Bayes' rule is optimal. Recent works have sought to \emph{learn losses} and models jointly. Existing methods do this by fitting an inverse canonical link function which monotonically maps $\mathbb{R}$ to $[0,1]$ to estimate probabilities for binary problems. In this paper, we extend monotonicity to maps between $\mathbb{R}^{C-1}$ and the projected probability simplex $\tilde{\Delta}^{C-1}$ by using monotonicity of gradients of convex functions. We present {\sc LegendreTron} as a novel and practical method that jointly learns \emph{proper canonical losses} and probabilities for multiclass problems. Tested on a benchmark of domains with up to 1,000 classes, our experimental results show that our method consistently outperforms the natural multiclass baseline under a $t$-test at 99% significance on all datasets with greater than 10 classes.  ( 2 min )

Multi-dimensional Scaling (MDS) is a family of methods for embedding pair-wise dissimilarities between $n$ objects into low-dimensional space. MDS is widely used as a data visualization tool in the social and biological sciences, statistics, and machine learning. We study the Kamada-Kawai formulation of MDS: given a set of non-negative dissimilarities $\{d_{i,j}\}_{i , j \in [n]}$ over $n$ points, the goal is to find an embedding $\{x_1,\dots,x_n\} \subset \mathbb{R}^k$ that minimizes \[ \text{OPT} = \min_{x} \mathbb{E}_{i,j \in [n]} \left[ \left(1-\frac{\|x_i - x_j\|}{d_{i,j}}\right)^2 \right] \] Despite its popularity, our theoretical understanding of MDS is extremely limited. Recently, Demaine, Hesterberg, Koehler, Lynch, and Urschel (arXiv:2109.11505) gave the first approximation algorithm with provable guarantees for Kamada-Kawai, which achieves an embedding with cost $\text{OPT} +\epsilon$ in $n^2 \cdot 2^{\tilde{\mathcal{O}}(k \Delta^4 / \epsilon^2)}$ time, where $\Delta$ is the aspect ratio of the input dissimilarities. In this work, we give the first approximation algorithm for MDS with quasi-polynomial dependency on $\Delta$: for target dimension $k$, we achieve a solution with cost $\mathcal{O}(\text{OPT}^{ \hspace{0.04in}1/k } \cdot \log(\Delta/\epsilon) )+ \epsilon$ in time $n^{ \mathcal{O}(1)} \cdot 2^{\tilde{\mathcal{O}}( k^2 (\log(\Delta)/\epsilon)^{k/2 + 1} ) }$. Our approach is based on a novel analysis of a conditioning-based rounding scheme for the Sherali-Adams LP Hierarchy. Crucially, our analysis exploits the geometry of low-dimensional Euclidean space, allowing us to avoid an exponential dependence on the aspect ratio $\Delta$. We believe our geometry-aware treatment of the Sherali-Adams Hierarchy is an important step towards developing general-purpose techniques for efficient metric optimization algorithms.

I study the problem of learning a Lipschitz function with corrupted binary signals. The learner tries to learn a $L$-Lipschitz function $f: [0,1]^d \rightarrow [0, L]$ that the adversary chooses. There is a total of $T$ rounds. In each round $t$, the adversary selects a context vector $x_t$ in the input space, and the learner makes a guess to the true function value $f(x_t)$ and receives a binary signal indicating whether the guess is high or low. In a total of $C$ rounds, the signal may be corrupted, though the value of $C$ is \emph{unknown} to the learner. The learner's goal is to incur a small cumulative loss. This work introduces the new algorithmic technique \emph{agnostic checking} as well as new analysis techniques. I design algorithms which: for the symmetric loss, the learner achieves regret $L\cdot O(C\log T)$ with $d = 1$ and $L\cdot O_d(C\log T + T^{(d-1)/d})$ with $d > 1$; for the pricing loss, the learner achieves regret $L\cdot \widetilde{O} (T^{d/(d+1)} + C\cdot T^{1/(d+1)})$.

Ensemble methods combine the predictions of several base models. We study whether or not including more models in an ensemble always improve its average performance. Such a question depends on the kind of ensemble considered, as well as the predictive metric chosen. We focus on situations where all members of the ensemble are a priori expected to perform as well, which is the case of several popular methods like random forests or deep ensembles. In this setting, we essentially show that ensembles are getting better all the time if, and only if, the considered loss function is convex. More precisely, in that case, the average loss of the ensemble is a decreasing function of the number of models. When the loss function is nonconvex, we show a series of results that can be summarised by the insight that ensembles of good models keep getting better, and ensembles of bad models keep getting worse. To this end, we prove a new result on the monotonicity of tail probabilities that may be of independent interest. We illustrate our results on a simple machine learning problem (diagnosing melanomas using neural nets).

We prove closed-form equations for the exact high-dimensional asymptotics of a family of first order gradient-based methods, learning an estimator (e.g. M-estimator, shallow neural network, ...) from observations on Gaussian data with empirical risk minimization. This includes widely used algorithms such as stochastic gradient descent (SGD) or Nesterov acceleration. The obtained equations match those resulting from the discretization of dynamical mean-field theory (DMFT) equations from statistical physics when applied to gradient flow. Our proof method allows us to give an explicit description of how memory kernels build up in the effective dynamics, and to include non-separable update functions, allowing datasets with non-identity covariance matrices. Finally, we provide numerical implementations of the equations for SGD with generic extensive batch-size and with constant learning rates.

Training an overparameterized neural network can yield minimizers of the same level of training loss and yet different generalization capabilities. With evidence that indicates a correlation between sharpness of minima and their generalization errors, increasing efforts have been made to develop an optimization method to explicitly find flat minima as more generalizable solutions. This sharpness-aware minimization (SAM) strategy, however, has not been studied much yet as to how overparameterization can actually affect its behavior. In this work, we analyze SAM under varying degrees of overparameterization and present both empirical and theoretical results that suggest a critical influence of overparameterization on SAM. Specifically, we first use standard techniques in optimization to prove that SAM can achieve a linear convergence rate under overparameterization in a stochastic setting. We also show that the linearly stable minima found by SAM are indeed flatter and have more uniformly distributed Hessian moments compared to those of SGD. These results are corroborated with our experiments that reveal a consistent trend that the generalization improvement made by SAM continues to increase as the model becomes more overparameterized. We further present that sparsity can open up an avenue for effective overparameterization in practice.

Changes in the data distribution at test time can have deleterious effects on the performance of predictive models $p(y|x)$. We consider situations where there are additional meta-data labels (such as group labels), denoted by $z$, that can account for such changes in the distribution. In particular, we assume that the prior distribution $p(y, z)$, which models the dependence between the class label $y$ and the "nuisance" factors $z$, may change across domains, either due to a change in the correlation between these terms, or a change in one of their marginals. However, we assume that the generative model for features $p(x|y,z)$ is invariant across domains. We note that this corresponds to an expanded version of the widely used "label shift" assumption, where the labels now also include the nuisance factors $z$. Based on this observation, we propose a test-time label shift correction that adapts to changes in the joint distribution $p(y, z)$ using EM applied to unlabeled samples from the target domain distribution, $p_t(x)$. Importantly, we are able to avoid fitting a generative model $p(x|y, z)$, and merely need to reweight the outputs of a discriminative model $p_s(y, z|x)$ trained on the source distribution. We evaluate our method, which we call "Test-Time Label-Shift Adaptation" (TTLSA), on several standard image and text datasets, as well as the CheXpert chest X-ray dataset, and show that it improves performance over methods that target invariance to changes in the distribution, as well as baseline empirical risk minimization methods. Code for reproducing experiments is available at https://github.com/nalzok/test-time-label-shift .

Bayesian experimental design (BED) provides a powerful and general framework for optimizing the design of experiments. However, its deployment often poses substantial computational challenges that can undermine its practical use. In this review, we outline how recent advances have transformed our ability to overcome these challenges and thus utilize BED effectively, before discussing some key areas for future development in the field.

Multi-objective optimization (MOO) has become an influential framework in many machine learning problems with multiple objectives such as learning with multiple criteria and multi-task learning (MTL). In this paper, we propose a new direction-oriented multi-objective problem by regularizing the common descent direction within a neighborhood of a direction that optimizes a linear combination of objectives such as the average loss in MTL. This formulation includes GD and MGDA as special cases, enjoys the direction-oriented benefit as in CAGrad, and facilitates the design of stochastic algorithms. To solve this problem, we propose Stochastic Direction-oriented Multi-objective Gradient descent (SDMGrad) with simple SGD type of updates, and its variant SDMGrad-OS with an efficient objective sampling in the setting where the number of objectives is large. For a constant-level regularization parameter $\lambda$, we show that SDMGrad and SDMGrad-OS provably converge to a Pareto stationary point with improved complexities and milder assumptions. For an increasing $\lambda$, this convergent point reduces to a stationary point of the linear combination of objectives. We demonstrate the superior performance of the proposed methods in a series of tasks on multi-task supervised learning and reinforcement learning. Code is provided at https://github.com/ml-opt-lab/sdmgrad.

Calabi-Yau four-folds may be constructed as hypersurfaces in weighted projective spaces of complex dimension 5 defined via weight systems of 6 weights. In this work, neural networks were implemented to learn the Calabi-Yau Hodge numbers from the weight systems, where gradient saliency and symbolic regression then inspired a truncation of the Landau-Ginzburg model formula for the Hodge numbers of any dimensional Calabi-Yau constructed in this way. The approximation always provides a tight lower bound, is shown to be dramatically quicker to compute (with compute times reduced by up to four orders of magnitude), and gives remarkably accurate results for systems with large weights. Additionally, complementary datasets of weight systems satisfying the necessary but insufficient conditions for transversality were constructed, including considerations of the IP, reflexivity, and intradivisibility properties. Overall producing a classification of this weight system landscape, further confirmed with machine learning methods. Using the knowledge of this classification, and the properties of the presented approximation, a novel dataset of transverse weight systems consisting of 7 weights was generated for a sum of weights $\leq 200$; producing a new database of Calabi-Yau five-folds, with their respective topological properties computed. Further to this an equivalent database of candidate Calabi-Yau six-folds was generated with approximated Hodge numbers.

We study the problems of distributed online and bandit convex optimization against an adaptive adversary. We aim to minimize the average regret on $M$ machines working in parallel over $T$ rounds with $R$ intermittent communications. Assuming the underlying cost functions are convex and can be generated adaptively, our results show that collaboration is not beneficial when the machines have access to the first-order gradient information at the queried points. This is in contrast to the case for stochastic functions, where each machine samples the cost functions from a fixed distribution. Furthermore, we delve into the more challenging setting of federated online optimization with bandit (zeroth-order) feedback, where the machines can only access values of the cost functions at the queried points. The key finding here is identifying the high-dimensional regime where collaboration is beneficial and may even lead to a linear speedup in the number of machines. We further illustrate our findings through federated adversarial linear bandits by developing novel distributed single and two-point feedback algorithms. Our work is the first attempt towards a systematic understanding of federated online optimization with limited feedback, and it attains tight regret bounds in the intermittent communication setting for both first and zeroth-order feedback. Our results thus bridge the gap between stochastic and adaptive settings in federated online optimization.

The aim of this short note is to show that Denoising Diffusion Probabilistic Model DDPM, a non-homogeneous discrete-time Markov process, can be represented by a time-homogeneous continuous-time Markov process observed at non-uniformly sampled discrete times. Surprisingly, this continuous-time Markov process is the well-known and well-studied Ornstein-Ohlenbeck (OU) process, which was developed in 1930's for studying Brownian particles in Harmonic potentials. We establish the formal equivalence between DDPM and the OU process using its analytical solution. We further demonstrate that the design problem of the noise scheduler for non-homogeneous DDPM is equivalent to designing observation times for the OU process. We present several heuristic designs for observation times based on principled quantities such as auto-variance and Fisher Information and connect them to ad hoc noise schedules for DDPM. Interestingly, we show that the Fisher-Information-motivated schedule corresponds exactly the cosine schedule, which was developed without any theoretical foundation but is the current state-of-the-art noise schedule.  ( 2 min )

Regularization of inverse problems is of paramount importance in computational imaging. The ability of neural networks to learn efficient image representations has been recently exploited to design powerful data-driven regularizers. While state-of-the-art plug-and-play methods rely on an implicit regularization provided by neural denoisers, alternative Bayesian approaches consider Maximum A Posteriori (MAP) estimation in the latent space of a generative model, thus with an explicit regularization. However, state-of-the-art deep generative models require a huge amount of training data compared to denoisers. Besides, their complexity hampers the optimization of the latent MAP. In this work, we propose to use compressive autoencoders for latent estimation. These networks, which can be seen as variational autoencoders with a flexible latent prior, are smaller and easier to train than state-of-the-art generative models. We then introduce the Variational Bayes Latent Estimation (VBLE) algorithm, which performs this estimation within the framework of variational inference. This allows for fast and easy (approximate) posterior sampling. Experimental results on image datasets BSD and FFHQ demonstrate that VBLE reaches similar performance than state-of-the-art plug-and-play methods, while being able to quantify uncertainties faster than other existing posterior sampling techniques.  ( 2 min )

Diffusion models excel at generating photo-realistic images but come with significant computational costs in both training and sampling. While various techniques address these computational challenges, a less-explored issue is designing an efficient and adaptable network backbone for iterative refinement. Current options like U-Net and Vision Transformer often rely on resource-intensive deep networks and lack the flexibility needed for generating images at variable resolutions or with a smaller network than used in training. This study introduces LEGO bricks, which seamlessly integrate Local-feature Enrichment and Global-content Orchestration. These bricks can be stacked to create a test-time reconfigurable diffusion backbone, allowing selective skipping of bricks to reduce sampling costs and generate higher-resolution images than the training data. LEGO bricks enrich local regions with an MLP and transform them using a Transformer block while maintaining a consistent full-resolution image across all bricks. Experimental results demonstrate that LEGO bricks enhance training efficiency, expedite convergence, and facilitate variable-resolution image generation while maintaining strong generative performance. Moreover, LEGO significantly reduces sampling time compared to other methods, establishing it as a valuable enhancement for diffusion models.  ( 2 min )

High-dimensional imbalanced data poses a machine learning challenge. In the absence of sufficient or high-quality labels, unsupervised feature selection methods are crucial for the success of subsequent algorithms. Therefore, there is a growing need for unsupervised feature selection algorithms focused on imbalanced data. Thus, we propose a Marginal Laplacian Score (MLS) a modification of the well-known Laplacian Score (LS) to be better suited for imbalance data. We introduce an assumption that the minority class or anomalous appear more frequently in the margin of the features. Consequently, MLS aims to preserve the local structure of the data set's margin. As MLS is better suited for handling imbalanced data, we propose its integration into modern feature selection methods that utilize the Laplacian score. We integrate the MLS algorithm into the Differentiable Unsupervised Feature Selection (DUFS), resulting in DUFS-MLS. The proposed methods demonstrate robust and improved performance on synthetic and public data sets.  ( 2 min )

We propose and theoretically analyze an approach for planning with an approximate model in reinforcement learning that can reduce the adverse impact of model error. If the model is accurate enough, it accelerates the convergence to the true value function too. One of its key components is the MaxEnt Model Correction (MoCo) procedure that corrects the model's next-state distributions based on a Maximum Entropy density estimation formulation. Based on MoCo, we introduce the Model Correcting Value Iteration (MoCoVI) algorithm, and its sampled-based variant MoCoDyna. We show that MoCoVI and MoCoDyna's convergence can be much faster than the conventional model-free algorithms. Unlike traditional model-based algorithms, MoCoVI and MoCoDyna effectively utilize an approximate model and still converge to the correct value function.  ( 2 min )

Although robust statistical estimators are less affected by outlying observations, their computation is usually more challenging. This is particularly the case in high-dimensional sparse settings. The availability of new optimization procedures, mainly developed in the computer science domain, offers new possibilities for the field of robust statistics. This paper investigates how such procedures can be used for robust sparse association estimators. The problem can be split into a robust estimation step followed by an optimization for the remaining decoupled, (bi-)convex problem. A combination of the augmented Lagrangian algorithm and adaptive gradient descent is implemented to also include suitable constraints for inducing sparsity. We provide results concerning the precision of the algorithm and show the advantages over existing algorithms in this context. High-dimensional empirical examples underline the usefulness of this procedure. Extensions to other robust sparse estimators are possible.  ( 2 min )

Most graph neural networks (GNNs) are prone to the phenomenon of over-squashing in which node features become insensitive to information from distant nodes in the graph. Recent works have shown that the topology of the graph has the greatest impact on over-squashing, suggesting graph rewiring approaches as a suitable solution. In this work, we explore whether over-squashing can be mitigated through the embedding space of the GNN. In particular, we consider the generalization of Hyperbolic GNNs (HGNNs) to Riemannian manifolds of variable curvature in which the geometry of the embedding space is faithful to the graph's topology. We derive bounds on the sensitivity of the node features in these Riemannian GNNs as the number of layers increases, which yield promising theoretical and empirical results for alleviating over-squashing in graphs with negative curvature.  ( 2 min )

Many areas of machine learning and science involve large linear algebra problems, such as eigendecompositions, solving linear systems, computing matrix exponentials, and trace estimation. The matrices involved often have Kronecker, convolutional, block diagonal, sum, or product structure. In this paper, we propose a simple but general framework for large-scale linear algebra problems in machine learning, named CoLA (Compositional Linear Algebra). By combining a linear operator abstraction with compositional dispatch rules, CoLA automatically constructs memory and runtime efficient numerical algorithms. Moreover, CoLA provides memory efficient automatic differentiation, low precision computation, and GPU acceleration in both JAX and PyTorch, while also accommodating new objects, operations, and rules in downstream packages via multiple dispatch. CoLA can accelerate many algebraic operations, while making it easy to prototype matrix structures and algorithms, providing an appealing drop-in tool for virtually any computational effort that requires linear algebra. We showcase its efficacy across a broad range of applications, including partial differential equations, Gaussian processes, equivariant model construction, and unsupervised learning.  ( 2 min )

This review systematizes the emerging literature for causal inference using deep neural networks under the potential outcomes framework. It provides an intuitive introduction on how deep learning can be used to estimate/predict heterogeneous treatment effects and extend causal inference to settings where confounding is non-linear, time varying, or encoded in text, networks, and images. To maximize accessibility, we also introduce prerequisite concepts from causal inference and deep learning. The survey differs from other treatments of deep learning and causal inference in its sharp focus on observational causal estimation, its extended exposition of key algorithms, and its detailed tutorials for implementing, training, and selecting among deep estimators in Tensorflow 2 available at github.com/kochbj/Deep-Learning-for-Causal-Inference.  ( 2 min )

The notion of margin loss has been central to the development and analysis of algorithms for binary classification. To date, however, there remains no consensus as to the analogue of the margin loss for multiclass classification. In this work, we show that a broad range of multiclass loss functions, including many popular ones, can be expressed in the relative margin form, a generalization of the margin form of binary losses. The relative margin form is broadly useful for understanding and analyzing multiclass losses as shown by our prior work (Wang and Scott, 2020, 2021). To further demonstrate the utility of this way of expressing multiclass losses, we use it to extend the seminal result of Bartlett et al. (2006) on classification-calibration of binary margin losses to multiclass. We then analyze the class of Fenchel-Young losses, and expand the set of these losses that are known to be classification-calibrated.  ( 2 min )

Causal inference studies whether the presence of a variable influences an observed outcome. As measured by quantities such as the "average treatment effect," this paradigm is employed across numerous biological fields, from vaccine and drug development to policy interventions. Unfortunately, the majority of these methods are often limited to univariate outcomes. Our work generalizes causal estimands to outcomes with any number of dimensions or any measurable space, and formulates traditional causal estimands for nominal variables as causal discrepancy tests. We propose a simple technique for adjusting universally consistent conditional independence tests and prove that these tests are universally consistent causal discrepancy tests. Numerical experiments illustrate that our method, Causal CDcorr, leads to improvements in both finite sample validity and power when compared to existing strategies. Our methods are all open source and available at github.com/ebridge2/cdcorr.  ( 2 min )

We study N-player finite games with costs perturbed due to time-varying disturbances in the underlying system and to that end we propose the concept of Robust Correlated Equilibrium that generalizes the definition of Correlated Equilibrium. Conditions under which the Robust Correlated Equilibrium exists are specified and a decentralized algorithm for learning strategies that are optimal in the sense of Robust Correlated Equilibrium is proposed. The primary contribution of the paper is the convergence analysis of the algorithm and to that end, we propose an extension of the celebrated Blackwell's Approachability theorem to games with costs that are not just time-average as in the original Blackwell's Approachability Theorem but also include time-average of previous algorithm iterates. The designed algorithm is applied to a practical water distribution network with pumps being the controllers and their costs being perturbed by uncertain consumption by consumers. Simulation results show that each controller achieves no regret and empirical distributions converge to the Robust Correlated Equilibrium.  ( 2 min )

Despite efforts to align large language models (LLMs) with human values, widely-used LLMs such as GPT, Llama, Claude, and PaLM are susceptible to jailbreaking attacks, wherein an adversary fools a targeted LLM into generating objectionable content. To address this vulnerability, we propose SmoothLLM, the first algorithm designed to mitigate jailbreaking attacks on LLMs. Based on our finding that adversarially-generated prompts are brittle to character-level changes, our defense first randomly perturbs multiple copies of a given input prompt, and then aggregates the corresponding predictions to detect adversarial inputs. SmoothLLM reduces the attack success rate on numerous popular LLMs to below one percentage point, avoids unnecessary conservatism, and admits provable guarantees on attack mitigation. Moreover, our defense uses exponentially fewer queries than existing attacks and is compatible with any LLM. Our code is publicly available at the following link: https://github.com/arobey1/smooth-llm.  ( 2 min )

Astronomical transients, such as supernovae and other rare stellar explosions, have been instrumental in some of the most significant discoveries in astronomy. New astronomical sky surveys will soon record unprecedented numbers of transients as sparsely and irregularly sampled multivariate time series. To improve our understanding of the physical mechanisms of transients and their progenitor systems, early-time measurements are necessary. Prioritizing the follow-up of transients based on their age along with their class is crucial for new surveys. To meet this demand, we present the first method of predicting the age of transients in real-time from multi-wavelength time-series observations. We build a Bayesian probabilistic recurrent neural network. Our method can accurately predict the age of a transient with robust uncertainties as soon as it is initially triggered by a survey telescope. This work will be essential for the advancement of our understanding of the numerous young transients being detected by ongoing and upcoming astronomical surveys.  ( 2 min )

There are a number of available methods for selecting whom to prioritize for treatment, including ones based on treatment effect estimation, risk scoring, and hand-crafted rules. We propose rank-weighted average treatment effect (RATE) metrics as a simple and general family of metrics for comparing and testing the quality of treatment prioritization rules. RATE metrics are agnostic as to how the prioritization rules were derived, and only assess how well they identify individuals that benefit the most from treatment. We define a family of RATE estimators and prove a central limit theorem that enables asymptotically exact inference in a wide variety of randomized and observational study settings. RATE metrics subsume a number of existing metrics, including the Qini coefficient, and our analysis directly yields inference methods for these metrics. We showcase RATE in the context of a number of applications, including optimal targeting of aspirin to stroke patients.  ( 2 min )

The Gauss Markov theorem states that the weighted least squares estimator is a linear minimum variance unbiased estimation (MVUE) in linear models. In this paper, we take a first step towards extending this result to non linear settings via deep learning with bias constraints. The classical approach to designing non-linear MVUEs is through maximum likelihood estimation (MLE) which often involves computationally challenging optimizations. On the other hand, deep learning methods allow for non-linear estimators with fixed computational complexity. Learning based estimators perform optimally on average with respect to their training set but may suffer from significant bias in other parameters. To avoid this, we propose to add a simple bias constraint to the loss function, resulting in an estimator we refer to as Bias Constrained Estimator (BCE). We prove that this yields asymptotic MVUEs that behave similarly to the classical MLEs and asymptotically attain the Cramer Rao bound. We demonstrate the advantages of our approach in the context of signal to noise ratio estimation as well as covariance estimation. A second motivation to BCE is in applications where multiple estimates of the same unknown are averaged for improved performance. Examples include distributed sensor networks and data augmentation in test-time. In such applications, we show that BCE leads to asymptotically consistent estimators.  ( 3 min )

We introduce a diffusion-based generative model to describe the distribution of galaxies in our Universe directly as a collection of points in 3-D space (coordinates) optionally with associated attributes (e.g., velocities and masses), without resorting to binning or voxelization. The custom diffusion model can be used both for emulation, reproducing essential summary statistics of the galaxy distribution, as well as inference, by computing the conditional likelihood of a galaxy field. We demonstrate a first application to massive dark matter haloes in the Quijote simulation suite. This approach can be extended to enable a comprehensive analysis of cosmological data, circumventing limitations inherent to summary statistic -- as well as neural simulation-based inference methods.  ( 2 min )

Synthetic data (SD) have garnered attention as a privacy enhancing technology. Unfortunately, there is no standard for quantifying their degree of privacy protection. In this paper, we discuss proposed quantification approaches. This contributes to the development of SD privacy standards; stimulates multi-disciplinary discussion; and helps SD researchers make informed modeling and evaluation decisions.  ( 2 min )

This paper is concerned with functional learning by utilizing two-stage sampled distribution regression. We study a multi-penalty regularization algorithm for distribution regression under the framework of learning theory. The algorithm aims at regressing to real valued outputs from probability measures. The theoretical analysis on distribution regression is far from maturity and quite challenging, since only second stage samples are observable in practical setting. In the algorithm, to transform information from samples, we embed the distributions to a reproducing kernel Hilbert space $\mathcal{H}_K$ associated with Mercer kernel $K$ via mean embedding technique. The main contribution of the paper is to present a novel multi-penalty regularization algorithm to capture more features of distribution regression and derive optimal learning rates for the algorithm. The work also derives learning rates for distribution regression in the nonstandard setting $f_{\rho}\notin\mathcal{H}_K$, which is not explored in existing literature. Moreover, we propose a distribution regression-based distributed learning algorithm to face large-scale data or information challenge. The optimal learning rates are derived for the distributed learning algorithm. By providing new algorithms and showing their learning rates, we improve the existing work in different aspects in the literature.  ( 2 min )

Recent methods such as Score Distillation Sampling (SDS) and Variational Score Distillation (VSD) using 2D diffusion models for text-to-3D generation have demonstrated impressive generation quality. However, the long generation time of such algorithms significantly degrades the user experience. To tackle this problem, we propose DreamPropeller, a drop-in acceleration algorithm that can be wrapped around any existing text-to-3D generation pipeline based on score distillation. Our framework generalizes Picard iterations, a classical algorithm for parallel sampling an ODE path, and can account for non-ODE paths such as momentum-based gradient updates and changes in dimensions during the optimization process as in many cases of 3D generation. We show that our algorithm trades parallel compute for wallclock time and empirically achieves up to 4.7x speedup with a negligible drop in generation quality for all tested frameworks.  ( 2 min )

The world's first AI minister, Omar Al Olama, warns that overregulation of artificial intelligence (AI) can have grave consequences, comparing it to the Middle East's refusal to adopt the printing press, which led to the decline of the Ottoman Empire. Al Olama emphasizes the need for governments to find a balance between regulation and progress, and suggests a three-pronged approach of reskilling, retooling, and retiring for workers affected by AI. He believes that proactive measures are necessary to ensure that the population is not left behind in the face of AI advancements. Source : https://finance.yahoo.com/news/world-first-ai-minister-likens-175027978.html submitted by /u/NuseAI [link] [comments]  ( 9 min )

A Spanish modeling agency has created an AI influencer named Aitana López, who can earn up to $11,000 a month as a model. López is a pink-haired 25-year-old with 124,000 followers on Instagram. The agency created her because they were having trouble working with real models and influencers. She can make over $1,000 per advert and earns between $3,000 to $10,000 a month. AI-generated characters like López are finding success on social media and adult content platforms. Fanvue's CEO believes that AI-generated characters will soon be as widespread as human creators. Source : https://www.businessinsider.com/ai-influencer-aitana-clueless-agency-tech-spain-2023-11 submitted by /u/NuseAI [link] [comments]  ( 9 min )

Will they coexist? Gemini is expected to be the largest llm with 1 trillion parameters, it can perform many tasks, probably even beat gpt4, do you think this will threaten chatgpt? Especially if it happens that Gemini is free, while gpt4 costs 20 bucks submitted by /u/Fast_Key5139 [link] [comments]  ( 9 min )

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The fact that they haven’t released much this year even though they are at the forefront of edge sciences like quantum computers, AI and many other fields. Overall Google has overall the best scientists in the world and not published much is ludicrous to me. They are hiding something crazy powerful for sure and I’m not just talking about Gemini which I’m sure will best gp4 by a mile, but many other revolutionary tech. I think they’re sitting on some tech too see who will release it first. submitted by /u/Major_Fishing6888 [link] [comments]  ( 1 min )

China is taking a different path in AI development compared to the West. Instead of competing to write the rules, China is building its own AI ecosystems and working with allies to expand its influence. This includes transforming cities into 'safe cities' and 'smart cities' using AI technology. China already dominates exports of facial recognition technology and is spreading its surveillance expertise worldwide. The country's vocational training program, the 'Luban workshop,' is educating thousands in AI in developing economies. Chinese tech companies have also played a role in building the world's largest AI supercomputer in the United Arab Emirates. If China's strategy is successful, it could render the West's agreements on safe and rights-respecting AI obsolete. The US needs a more expansive vision to empower other nations with AI education and infrastructure to compete with China's efforts. Source : https://www.politico.com/news/magazine/2023/11/30/china-global-ai-plans-00129160 submitted by /u/NuseAI [link] [comments]  ( 9 min )

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Title. I just managed to get Google Search Labs and I'm wondering if others try using it instead of ChatGPT. It feels really weird typing out full sentences into Google though -- I always just put a couple of tags + "Reddit". https://preview.redd.it/g6oeuhpxyg3c1.png?width=2314&format=png&auto=webp&s=1b800cb03ec17a032e43bdcaff7e443908fa2e64 submitted by /u/IgnisIncendio [link] [comments]

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So this is the Meta AI. I first made it believe this made up word which it kept denying as it doesn’t have access to ‘real - time’ data. Next I asked a simple latest news section and it gave a proper answer. When i caught it you can see the response yourself. I’m a ML Engineer myself but this is weird. Like have they been hard coded to respond as such if caught. What else stuff can they actually do or are doing that they just deny. I’ve also tested with chat-gpt that sometimes if i make one instance of it learn a new word (Made up). 1 day later i ask another instance about it and it knows 🤷‍♂️. submitted by /u/Cizhu [link] [comments]

Stable Diffusion XL Turbo can generate AI images as fast as you can type.[1] AWS and NVIDIA Announce Strategic Collaboration to Offer New Supercomputing Infrastructure, Software and Services for Generative AI.[2] ByteDance Launches Large-Scale Model Product “ChitChop”.[3] Sam Altman Officially Returns to OpenAI—With a New Board Seat for Microsoft.[4] Sources: [1] https://arstechnica.com/information-technology/2023/11/stable-diffusion-turbo-xl-accelerates-image-synthesis-with-one-step-generation/ [2] https://nvidianews.nvidia.com/news/aws-nvidia-strategic-collaboration-for-generative-ai [3] https://pandaily.com/bytedance-launches-large-scale-model-product-chitchop/ [4] https://www.wired.com/story/sam-altman-officially-returns-to-openai-board-seat-microsoft/ submitted by /u/Excellent-Target-847 [link] [comments]

Materials discovery is critical but tough. New materials enable big innovations like batteries or LEDs. But there are ~infinitely many combinations to try. Testing for them experimentally is slow and expensive. So scientists and engineers want to simulate and screen materials on computers first. This can check way more candidates before real-world experiments. However, models historically struggled at accurately predicting if materials are stable. Researchers at DeepMind made a system called GNoME that uses graph neural networks and active learning to push past these limits. GNoME models materials' crystal structures as graphs and predicts formation energies. It actively generates and filters candidates, evaluating the most promising with simulations. This expands its knowledge and improves predictions over multiple cycles. The authors introduced new ways to generate derivative structures that respect symmetries, further diversifying discoveries. The results: GNoME found 2.2 million new stable materials - equivalent to 800 years of normal discovery. Of those, 380k were the most stable and candidates for validation. 736 were validated in external labs. These include a totally new diamond-like optical material and another that may be a superconductor. Overall this demonstrates how scaling up deep learning can massively speed up materials innovation. As data and models improve together, it'll accelerate solutions to big problems needing new engineered materials. TLDR: DeepMind made an AI system that uses graph neural networks to discover possible new materials. It found 2.2 million candidates, and over 300k are most stable. Over 700 have already been synthesized. Full summary available here. Paper is here. submitted by /u/Successful-Western27 [link] [comments]  ( 10 min )

the transition may make it much easier for us to have a fighting chance against climate change. agi could probably figure out how to make it a win-win for everyone submitted by /u/Georgeo57 [link] [comments]

But why and what why not not??? submitted by /u/Impossible_Belt_7757 [link] [comments]

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submitted by /u/gwern [link] [comments]

What are the state-of-the-art methods to address distributional shift in a RL task? I need to apply RL to a traffic control problem where the distribution of traffic (arrival rate of vehicles, origin-destination locations, etc) can change over time. I can indeed train on multiple distributions, but I would like to use some method that allows me to adapt to quickly adapt to a different distribution, or quickly fine-tune a new model for it. submitted by /u/fedetask [link] [comments]

Hi everyone, thanks in advance for the help! I’m working on a q-learning project where a single agent is working to optimize performance across many (thousands) independent machines. All machines are the same and generate the same metrics on a regularly updating database. I read a thread from this community from a couple years ago and it sounds like it’s possible to apply a single agent across multiple environments. Given these are all identical environments and denoted by a unique ID, I’m wondering if there’s a simple group by function I can apply while building the model to train it on a much wider array of data rather than training it on a single dataset before trying to deploy it across all the various environments. Thank you all again for your help! submitted by /u/Shikaze33_3 [link] [comments]

Please, what am I doing wrong? I tried training my agent with Dreamerv3 on my custom environment which is vector-based observation. I followed the Sheaprl method for adding a custom environment . Please, what am I doing wrong? I tried training my agent with Dreamerv3 on my custom environment which is vector-based observation. I followed the Sheaprl method for adding a custom environment. to train the agent to navigate to its goal while avoiding obstacles. I want to use Dreamer v3. My observation space is a flat vector-based observation(23), not an image and the action space is continuous with 2 dimensions. I want to write a script that will use Dreamer v3. If possible, the scripts below will be solely for my environment: - envs: My environment - configs.yaml - dreamer.py - exploration.py - models.py - networks.py - parallel.py - requirements.txt - tools.py I want a specific, clean code so that I can modify Dreamer v3 for other environments and options that are image-based. It's making it difficult for me to streamline what I want to do. I will share my environment and a simple script on how to test it. I would appreciate it if you could help me or guide me on how to use Dreamer v3 with a flat vector-based observation space. Thanks! this my zip File that contains my environment : https://www.dropbox.com/scl/fi/z13wkqgjtuszlt3oimxd4/SacNav.zip?rlkey=f0y2yctxa5ajjt442na8abk4l&dl=0 submitted by /u/Goodluck_o [link] [comments]

hello I would like to hear if you guys have any recommendations for me as to how to move forward with my learning journey. so far I believe I have a solid understanding of how nns works, including the maths of it and coding it. I managed to implement a vanilla gradient decent algorithm to a simple environment. now I'm thinking on how to move forward. I like understanding things down to the math and then trying to implement it myself with numpy to make sure I understood everything. but also on top of that I want to start learning to use existing practical tools for rl and nns like pytorch or whatnot. do you guys have any recommendations for sources that tackle the theory and practical? btw im asking here because I'm specifically interested in deep rl tho it might seem pretty general. submitted by /u/urtypicalretarded [link] [comments]

submitted by /u/NoteDancing [link] [comments]

So I have used sb3 for about 3 years now, and I find it incredibly simple to setup experiments, add functional modifications/custom network architectures to the RL algorithm, optimise parameters using Optuna, and also do inference after training. All this with very little effort other than to understand the basic dynamics of how it works. So in my new company they use RLLib which, to say the least, is a monstrosity to do any of the above mentioned things I did easily in sb3. So the argument that's usually given is that it's easy to deploy the models with RLLib. But is it really that easy? Considering we could deploy the model trained using sb3 just easily or even faster with a FAST api and docker combination, is it worth going through the difficulties of RLLib just for the additional algorithms it offers? What's your experience like, for the people in the industry using RL? submitted by /u/sharafath28 [link] [comments]

i'm learning RL'Reinforcement Learning' and i've done a few big and small project to get the hang of it. i wrote a code(trained a RL-model) that play a game by capturing screen(mss) and sending inputs(PyDirectInputs) but it was TOO SLOW; like barely 1 fps.(whether in training, or using) so i was wondering is there any game that allow us to interact with it by python? like some API , interface , software, etc. that connects our codes directly to game. or something like this? submitted by /u/Mr_Lucifer_666 [link] [comments]

Hey. I got some pretty impressive results for my pet-project that I've been working on for the past 1.5 years. MNIST inference performance using one flat layer without convolution on Ryzen 7950X3D CPU: 46 millions predictions per second, throughput: 25 GB/s, accuracy: 98.05%. AGI achieved. ACI (Artificial Collective Intelligence), to be honest. Modified Tsetlin Machine on MNIST performance submitted by /u/ArtemHnilov [link] [comments]  ( 9 min )

Hi everyone, I'm exploring an idea and would appreciate insights from those more knowledgeable in this field. I'm considering using regression analysis to predict stock market returns. My approach involves selecting a few non-traditional variables to see if they significantly impact stock returns. For instance, one variable I'm considering is Research and Development expenses as a percentage of revenue. Using Excel, I've managed to set up a basic model. The formula for predicting future stock prices is derived from the regression: it's the intercept plus the coeffecent times each variables (variable1+ variable2, etc.). However, I'm not well-versed in advanced mathematics or coding, and my knowledge is limited to basic concepts. Here are my questions: Could this model potentially work for predicting stock market returns? If there are limitations or reasons why it might not work, what are they? What should I consider to improve the model's accuracy and reliability? Are there any additional inputs or variables that I should look into? Any guidance, critiques, or suggestions would be greatly appreciated. I'm here to learn and understand more about this concept. Thanks in advance! submitted by /u/lolleh10 [link] [comments]  ( 9 min )

https://youtu.be/p1bfK8ZJgkE?si=439ofCFcaFX1EBie (Krish Naik - End to end deep learning project with deployment) I am a "full stack" data scientist with a couple of years experience, and I really like this type of content where they cover end-to-end projects with a high level of code and implementation quality (i.e. modular and reusable code, decorators, dataclasses, pydantic, mlops, dvc, ci/cd, deployment, etc.) Are there any similar courses, videos, creators, websites, or similar you would recommend that cover similar stuff with equal skill level? I have implemented end-to-end projects like this in my current job, but i wish to learn more and adhere to best practices when it comes the python development, machine learning application, and so on. submitted by /u/Fendrbud [link] [comments]  ( 9 min )

i am a beginner in kaggle competition for a kaggle competition when i finish doing all my model (preprocessing data + training + validation+ saving the model in kaggle/working ) , when i submit the notebook to kaggle it re-run it and count the time of running , is it normal ? nowing that i have the model already saved and ready in kaggle/working , like when i submit it also re-run all the code even the preprocessing , if you want to help please clarify this point for me submitted by /u/Express-Pool-5480 [link] [comments]  ( 9 min )

submitted by /u/we_are_mammals [link] [comments]

I am a mechanical engineering student I want to break into the field of machine learning But I don't have any type of guidance. Even on how can a mechanical engineer become a machine learning expert. I saw one post from a person who worked as a data analyst in an mechanical engineer firm he was also a mechanical engineer. Please do guide. submitted by /u/AromaticEconomics113 [link] [comments]  ( 9 min )

Hello all :) I'm working on an iOS audio app that processes microphone input to reactive visualizations synced to the music. I have an AVFoundation pipeline set up to record audio, perform realtime FFT analysis into frames of features like spectral centroid and chroma vectors, and map these to parameters driving the visuals. I would now like to train a model to distinguish music from ambient noise in the mic data to filter out segments with just irrelevant background talking or sounds. The app is built in Swift and needs to perform prediction very efficiently even on older iPhones (ideally lol, not the biggest concern). What type of neural network model would you recommend for classifying short sequences of audio features per frame? I'm considering LSTM or Transformer architectures. What feature sets provide the most discriminative signal for music vs noise? Should I quantify model accuracy by frame-level predictions or aggregate metrics like overall sequence accuracy? Any advice on optimizing models for real-time mobile inference? I have experience gathering and labeling timestamped training data pairs of raw audio and feature sets. Please let me know what other specifics around data, model configuration, metrics, or optimization would be useful to provide. Thanks in advance for any guidance! submitted by /u/zeke-001 [link] [comments]  ( 9 min )

Hi ML group, How does everyone using embeddings in your application? Do you self host the embedding models in your machine, or use hosted services such as https://embaas.io/? I assume for closed sourced model such as openai embedding or voyage ai embedding, there is no self hosted options. For open source models such as sentence-transformers/all-MiniLM-L6-v2, BAAI/bge-small-en, bge-large-en-v1.5, etc, do you prefer to self host the models, or use a hosted service? Also, when using a vector database, do you handle embeddings separately before inserting the data into the vector db, or leverage builtin embedding functionalities encapsulated by vector db products? Are there any limitations you encountered? submitted by /u/songrenchu [link] [comments]  ( 9 min )

Hello everyone, warm regards to you all. I am currently an IT student pursuing a bachelor's degree, and I aspire to become a Machine Learning or Artificial Intelligence engineer in the future. I'm seeking advice on the ideal learning path. Should I prioritize core programming skills such as data structures and algorithms and gain knowledge of software engineering first? Alternatively, is it advisable to dive directly into the ML/AI world by learning different libraries like TensorFlow? If software engineering knowledge is crucial for success in the ML/AI field, how much proficiency in software engineering is necessary? Thank you for your insights. submitted by /u/neerazayn [link] [comments]  ( 9 min )

Rich is an author of the RL book, and more recently, he founded the OpenMind Research Institute with some colleagues. ​ The interview is in 1 week. I have a background in RL and already have some ideas on questions and topics, but I also want to source questions outside of the Alberta RL bubble. Technical questions are the best, though I am open to anything. Thank you! ​ I'll post an update in this thread in a couple weeks after the interview is published. submitted by /u/ejmejm1 [link] [comments]  ( 9 min )

Hey! I'm collaborating with a piano learning app, and I'd like to suggest them a way to scale the lesson creation process using AI. Has anyone here explored the feasibility of using AI to generate videos that mimic human hands playing piano pieces? I'd like to explore what's possible providing the MIDI file and/or score. Does anyone have experience with this or could point me to resources or research? 🙏 https://preview.redd.it/tdaznpayki3c1.png?width=856&format=png&auto=webp&s=5ebac31b502ffd1982f3645fda23e86ae918c319 ​ submitted by /u/brank87 [link] [comments]  ( 9 min )

We LOVE the Netron library that Lutz Roeder created: https://github.com/lutzroeder/netron We wanted to explore what it felt like to be able to render Netron visualizations for ML models hosted in GitHub so we built a Netron integration: https://about.xethub.com/blog/visualizing-ml-models-github-netron Netron focuses on viewing 1 model file at a time but we also incorporated before-and-after model visualizations in pull requests: https://assets-global.website-files.com/6474aea6101c81b742144dd2/65689c07b7f2b060a925097c_github_pr2.png submitted by /u/semicausal [link] [comments]  ( 9 min )

I didn't see a discussion post, so I figured I'd make this one. submitted by /u/LessPoliticalAccount [link] [comments]  ( 9 min )

Paper: https://arxiv.org/abs/2311.04823 Code: https://github.com/OpenNLPLab/HGRN Models: https://huggingface.co/OpenNLPLab Abstract: Transformers have surpassed RNNs in popularity due to their superior abilities in parallel training and long-term dependency modeling. Recently, there has been a renewed interest in using linear RNNs for efficient sequence modeling. These linear RNNs often employ gating mechanisms in the output of the linear recurrence layer while ignoring the significance of using forget gates within the recurrence. In this paper, we propose a gated linear RNN model dubbed Hierarchically Gated Recurrent Neural Network (HGRN), which includes forget gates that are lower bounded by a learnable value. The lower bound increases monotonically when moving up layers. This allows the upper layers to model long-term dependencies and the lower layers to model more local, short-term dependencies. Experiments on language modeling, image classification, and long-range arena benchmarks showcase the efficiency and effectiveness of our proposed model. The source code is available at this https URL. https://preview.redd.it/thph9bpmjh3c1.png?width=965&format=png&auto=webp&s=8e4871cd280ef7e5b771b463435d47da11dca52d submitted by /u/APaperADay [link] [comments]  ( 9 min )

submitted by /u/davidmezzetti [link] [comments]  ( 9 min )

I'll be attending NeurIPS 2023 this year and won't know anyone. I'm an avid climber and there is a nice bouldering gym close to the conference center - would anyone else fancy a climb over the week? Reply below so we can see how many people and I can setup a meetup page or something. I'm a final year PhD from the UK working in video understanding. submitted by /u/fi5k3n [link] [comments]  ( 9 min )

https://github.com/chengzeyi/stable-fast https://preview.redd.it/en9wfkfc6g3c1.png?width=700&format=png&auto=webp&s=f66a45e69ab37885c2973c3ce11841a698e05b35 stable-fast achieves SOTA inference performance on ALL kinds of diffuser models.And unlike TensorRT or AITemplate, which takes dozens of minutes to compile a model, stable-fast only takes a few seconds to compile a model. stable-fast also supports dynamic shape, LoRA and ControlNet out of the box. submitted by /u/ciiic [link] [comments]  ( 9 min )

Hi everyone, We've recently experimented with deploying the CodeLlama 34 Bn model and wanted to share our key findings for those interested: Best Performance: Quantized GPTQ, 4-bit CodeLlama-Python-34B model using vLLM. Results: Average lowest latency of 3.51 sec, average token generation at 58.40/sec, and a cold start time of 21.8 sec on our platform, using Nvidia A100 GPU. CodeLlama 34Bn Other Libraries Tested: HuggingFace Transformer Pipeline, AutoGPTQ, Text Generation Inference. Keen to hear your experiences and learnings in similar deployments! submitted by /u/Tiny_Cut_8440 [link] [comments]  ( 9 min )

TL;DR: Why does GPU memory usage spike during gradient update step (can't account for 10gbs) but then drop down? I've been working on fine-tuning some of the larger LMs available on HuggingFace (e.g. Falcon40B and Llama-2-70B) and so far all my estimates for memory requirements don't add up. I have access to 4 A100-80gb GPUs and was fairly confident that I should have enough RAM to fine-tune Falcon40B with LoRA but I keep getting CUDA OOMs errors. I have figured out ways to get things running, but this made me realize I don't really understand how memory is allocated during training. Here's my understanding of where memory goes when you want to train a model: Setting -> Defining a TOTAL_MEMORY = 0 (MB) and I will update it as I move through each step that adds memory. -> Checking memo…  ( 11 min )

Hello all! I just uploaded my C++ implementation of EasyOCR, a well known ocr library for python. Also dusted some cobwebbs from some audio related projects as well, feel free to leave feedback or contribute! I only implemented the most salient parts, so certainly could use some community help! Cheers! https://github.com/ksasso1028/EasyOCR-cpp submitted by /u/YamGloomy948 [link] [comments]  ( 9 min )

I am learning ML engineering about 6 months but just now I was afraid that I wouldn’t be able to find a job. I would like to hear from those who managed to get a job without education submitted by /u/ExplorerMost2308 [link] [comments]  ( 1 min )

submitted by /u/tell-me-the-truth- [link] [comments]  ( 1 min )

We believe generative AI has the potential over time to transform virtually every customer experience we know. The number of companies launching generative AI applications on AWS is substantial and building quickly, including adidas, Booking.com, Bridgewater Associates, Clariant, Cox Automotive, GoDaddy, and LexisNexis Legal & Professional, to name just a few. Innovative startups like Perplexity […]  ( 26 min )

Amazon SageMaker is a fully managed service that enables developers and data scientists to quickly and easily build, train, and deploy machine learning (ML) models at scale. SageMaker makes it easy to deploy models into production directly through API calls to the service. Models are packaged into containers for robust and scalable deployments. SageMaker provides […]  ( 12 min )

Amazon SageMaker is a fully managed service that enables developers and data scientists to quickly and effortlessly build, train, and deploy machine learning (ML) models at any scale. SageMaker makes it straightforward to deploy models into production directly through API calls to the service. Models are packaged into containers for robust and scalable deployments. Although […]  ( 15 min )

Today, we are excited to announce support for Code Editor, a new integrated development environment (IDE) option in Amazon SageMaker Studio. Code Editor is based on Code-OSS, Visual Studio Code Open Source, and provides access to the familiar environment and tools of the popular IDE that machine learning (ML) developers know and love, fully integrated […]  ( 9 min )

As democratization of foundation models (FMs) becomes more prevalent and demand for AI-augmented services increases, software as a service (SaaS) providers are looking to use machine learning (ML) platforms that support multiple tenants—for data scientists internal to their organization and external customers. More and more companies are realizing the value of using FMs to generate […]  ( 17 min )

As organizations deploy models to production, they are constantly looking for ways to optimize the performance of their foundation models (FMs) running on the latest accelerators, such as AWS Inferentia and GPUs, so they can reduce their costs and decrease response latency to provide the best experience to end-users. However, some FMs don’t fully utilize […]  ( 13 min )

Amazon SageMaker makes it straightforward to deploy machine learning (ML) models for real-time inference and offers a broad selection of ML instances spanning CPUs and accelerators such as AWS Inferentia. As a fully managed service, you can scale your model deployments, minimize inference costs, and manage your models more effectively in production with reduced operational […]  ( 6 min )

Amazon SageMaker Canvas is a no-code workspace that enables analysts and citizen data scientists to generate accurate machine learning (ML) predictions for their business needs. Starting today, SageMaker Canvas supports advanced model build configurations such as selecting a training method (ensemble or hyperparameter optimization) and algorithms, customizing the training and validation data split ratio, and […]  ( 12 min )

Building foundation models (FMs) requires building, maintaining, and optimizing large clusters to train models with tens to hundreds of billions of parameters on vast amounts of data. Creating a resilient environment that can handle failures and environmental changes without losing days or weeks of model training progress is an operational challenge that requires you to […]  ( 10 min )

Digital publishers are continuously looking for ways to streamline and automate their media workflows to generate and publish new content as rapidly as they can, but without foregoing quality. Adding images to capture the essence of text can improve the reading experience. Machine learning techniques can help you discover such images. “A striking image is […]  ( 10 min )

The risks associated with generative AI have been well-publicized. Toxicity, bias, escaped PII, and hallucinations negatively impact an organization’s reputation and damage customer trust. Research shows that not only do risks for bias and toxicity transfer from pre-trained foundation models (FM) to task-specific generative AI services, but that tuning an FM for specific tasks, on […]  ( 13 min )

Data preparation is a crucial step in any machine learning (ML) workflow, yet it often involves tedious and time-consuming tasks. Amazon SageMaker Canvas now supports comprehensive data preparation capabilities powered by Amazon SageMaker Data Wrangler. With this integration, SageMaker Canvas provides customers with an end-to-end no-code workspace to prepare data, build and use ML and […]  ( 7 min )

In the last few years Large Language Models (LLMs) have risen to prominence as outstanding tools capable of understanding, generating and manipulating text with unprecedented proficiency. Their potential applications span from conversational agents to content generation and information retrieval, holding the promise of revolutionizing all industries. However, harnessing this potential while ensuring the responsible and […]  ( 15 min )

In today’s rapidly evolving landscape of artificial intelligence, deep learning models have found themselves at the forefront of innovation, with applications spanning computer vision (CV), natural language processing (NLP), and recommendation systems. However, the increasing cost associated with training and fine-tuning these models poses a challenge for enterprises. This cost is primarily driven by the […]  ( 8 min )

In November 2023, MarketsandMarkets announced the publication of its Knowledge Graph Market report. In its announcement, M&M estimated the 2023 global knowledge graph market at $0.9 billion, forecasting market growth to $2.4 billion by 2028, a compound annual growth rate of 21.9 percent. M&M also listed these 12 “key players” in its announcement: I haven’t… Read More »A few large enterprise software provider strategies for the knowledge graph market The post A few large enterprise software provider strategies for the knowledge graph market appeared first on Data Science Central.  ( 21 min )

After playing with GPT for some time, testing GenAI vendor solutions, designing my own, and reading feedback from other users, I uncovered a number of problems. Here I share some of the most common issues, and how to address them. It impacts LLM and synthetic data generation the most, including time series generation. 1. Poor… Read More »Towards Better GenAI: 5 Major Issues, and How to Fix Them The post Towards Better GenAI: 5 Major Issues, and How to Fix Them appeared first on Data Science Central.  ( 22 min )

Motivation Memorizing the periodic table has some practical value, especially if you’re a chemist, but in any case it’s an interesting exercise, easier to do than it may sound. And it’s a case study for how you might memorize other things of more practical value to you personally. Major system pegs The Major system is […] How to memorize the periodic table first appeared on John D. Cook.  ( 6 min )

It's 2023 and the combo of GPT-4/DALL-E3 can generate passable versions of the saccharine Christmas drawings in an advent calendar. They cannot, however, label them correctly. Also sometimes you get sweatermugs. This means the 2023 AI-generated advent calendar is happening! Full descriptions of every door in the  ( 7 min )

AI Weirdness: the strange side of machine learning  ( 2 min )

Let the games begin — this GFN Thursday brings the highly anticipated Call of Duty: Modern Warfare III to the cloud, the first Activision title on GeForce NOW as part of the NVIDIA and Microsoft partnership. It’s joined by Call of Duty: Modern Warfare II and Call of Duty: Warzone — all three titles can Read article >  ( 8 min )

Hi everyone, I'm trying to digest this paper called "Graph Convolutional Neural Networks for Histologic Classification of Pancreatic Cancer". It says in the paper: We concatenate the outputs of every GCN layer and then use the "self-attention pooling layer" to select the too 50% highly weighted nodes that determine the class of a graph. Github.com/bmirds/slide2graph I'm just wondering if someone can explain pooling in the graph convolutional neural networks in simple terms? I'm not in this field, so thanks a bunch. submitted by /u/kakashi1992 [link] [comments]  ( 9 min )

We employ quantum circuit learning to simulate quantum field theories (QFTs). Typically, when simulating QFTs with quantum computers, we encounter significant challenges due to the technical limitations of quantum devices when implementing the Hamiltonian using Pauli spin matrices. To address this challenge, we leverage quantum circuit learning, employing a compact configuration of qubits and low-depth quantum circuits to predict real-time dynamics in quantum field theories. The key advantage of this approach is that a single-qubit measurement can accurately forecast various physical parameters, including fully-connected operators. To demonstrate the effectiveness of our method, we use it to predict quench dynamics, chiral dynamics and jet production in a 1+1-dimensional model of quantum electrodynamics. We find that our predictions closely align with the results of rigorous classical calculations, exhibiting a high degree of accuracy. This hybrid quantum-classical approach illustrates the feasibility of efficiently simulating large-scale QFTs on cutting-edge quantum devices.  ( 2 min )

General circulation models (GCMs) are the foundation of weather and climate prediction. GCMs are physics-based simulators which combine a numerical solver for large-scale dynamics with tuned representations for small-scale processes such as cloud formation. Recently, machine learning (ML) models trained on reanalysis data achieved comparable or better skill than GCMs for deterministic weather forecasting. However, these models have not demonstrated improved ensemble forecasts, or shown sufficient stability for long-term weather and climate simulations. Here we present the first GCM that combines a differentiable solver for atmospheric dynamics with ML components, and show that it can generate forecasts of deterministic weather, ensemble weather and climate on par with the best ML and physics-based methods. NeuralGCM is competitive with ML models for 1-10 day forecasts, and with the European Centre for Medium-Range Weather Forecasts ensemble prediction for 1-15 day forecasts. With prescribed sea surface temperature, NeuralGCM can accurately track climate metrics such as global mean temperature for multiple decades, and climate forecasts with 140 km resolution exhibit emergent phenomena such as realistic frequency and trajectories of tropical cyclones. For both weather and climate, our approach offers orders of magnitude computational savings over conventional GCMs. Our results show that end-to-end deep learning is compatible with tasks performed by conventional GCMs, and can enhance the large-scale physical simulations that are essential for understanding and predicting the Earth system.  ( 3 min )

Traffic prediction is one of the most significant foundations in Intelligent Transportation Systems (ITS). Traditional traffic prediction methods rely only on historical traffic data to predict traffic trends and face two main challenges. 1) insensitivity to unusual events. 2) poor performance in long-term prediction. In this work, we explore how generative models combined with text describing the traffic system can be applied for traffic generation and name the task Text-to-Traffic Generation (TTG). The key challenge of the TTG task is how to associate text with the spatial structure of the road network and traffic data for generating traffic situations. To this end, we propose ChatTraffic, the first diffusion model for text-to-traffic generation. To guarantee the consistency between synthetic and real data, we augment a diffusion model with the Graph Convolutional Network (GCN) to extract spatial correlations of traffic data. In addition, we construct a large dataset containing text-traffic pairs for the TTG task. We benchmarked our model qualitatively and quantitatively on the released dataset. The experimental results indicate that ChatTraffic can generate realistic traffic situations from the text. Our code and dataset are available at https://github.com/ChyaZhang/ChatTraffic.  ( 2 min )

Text-to-image diffusion models have recently received increasing interest for their astonishing ability to produce high-fidelity images from solely text inputs. Subsequent research efforts aim to exploit and apply their capabilities to real image editing. However, existing image-to-image methods are often inefficient, imprecise, and of limited versatility. They either require time-consuming fine-tuning, deviate unnecessarily strongly from the input image, and/or lack support for multiple, simultaneous edits. To address these issues, we introduce LEDITS++, an efficient yet versatile and precise textual image manipulation technique. LEDITS++'s novel inversion approach requires no tuning nor optimization and produces high-fidelity results with a few diffusion steps. Second, our methodology supports multiple simultaneous edits and is architecture-agnostic. Third, we use a novel implicit masking technique that limits changes to relevant image regions. We propose the novel TEdBench++ benchmark as part of our exhaustive evaluation. Our results demonstrate the capabilities of LEDITS++ and its improvements over previous methods. The project page is available at https://leditsplusplus-project.static.hf.space .  ( 2 min )

We study the problem of recovering Gaussian data under adversarial corruptions when the noises are low-rank and the corruptions are on the coordinate level. Concretely, we assume that the Gaussian noises lie in an unknown $k$-dimensional subspace $U \subseteq \mathbb{R}^d$, and $s$ randomly chosen coordinates of each data point fall into the control of an adversary. This setting models the scenario of learning from high-dimensional yet structured data that are transmitted through a highly-noisy channel, so that the data points are unlikely to be entirely clean. Our main result is an efficient algorithm that, when $ks^2 = O(d)$, recovers every single data point up to a nearly-optimal $\ell_1$ error of $\tilde O(ks/d)$ in expectation. At the core of our proof is a new analysis of the well-known Basis Pursuit (BP) method for recovering a sparse signal, which is known to succeed under additional assumptions (e.g., incoherence or the restricted isometry property) on the underlying subspace $U$. In contrast, we present a novel approach via studying a natural combinatorial problem and show that, over the randomness in the support of the sparse signal, a high-probability error bound is possible even if the subspace $U$ is arbitrary.  ( 2 min )

Predicting the infiltration of Glioblastoma (GBM) from medical MRI scans is crucial for understanding tumor growth dynamics and designing personalized radiotherapy treatment plans.Mathematical models of GBM growth can complement the data in the prediction of spatial distributions of tumor cells. However, this requires estimating patient-specific parameters of the model from clinical data, which is a challenging inverse problem due to limited temporal data and the limited time between imaging and diagnosis. This work proposes a method that uses Physics-Informed Neural Networks (PINNs) to estimate patient-specific parameters of a reaction-diffusion PDE model of GBM growth from a single 3D structural MRI snapshot. PINNs embed both the data and the PDE into a loss function, thus integrating theory and data. Key innovations include the identification and estimation of characteristic non-dimensional parameters, a pre-training step that utilizes the non-dimensional parameters and a fine-tuning step to determine the patient specific parameters. Additionally, the diffuse domain method is employed to handle the complex brain geometry within the PINN framework. Our method is validated both on synthetic and patient datasets, and shows promise for real-time parametric inference in the clinical setting for personalized GBM treatment.  ( 2 min )

Traffic management is a serious problem in many cities around the world. Even the suburban areas are now experiencing regular traffic congestion. Inappropriate traffic control wastes fuel, time, and the productivity of nations. Though traffic signals are used to improve traffic flow, they often cause problems due to inappropriate or obsolete timing that does not tally with the actual traffic intensity at the intersection. Traffic intensity determination based on statistical methods only gives the average intensity expected at any given time. However, to control traffic accurately, it is required to know the real-time traffic intensity. In this research, image processing and machine learning have been used to estimate actual traffic intensity in real time. General-purpose electronic hardware has been used for in-situ image processing based on the edge-detection method. A deep neural network (DNN) was trained to infer traffic intensity in each image in real time. The trained DNN estimated traffic intensity accurately in 90% of the real-time images during road tests. The electronic system was implemented on a Raspberry Pi single-board computer; hence, it is cost-effective for large-scale deployment.  ( 2 min )

Despite their dominance in modern DL and, especially, NLP domains, transformer architectures exhibit sub-optimal performance on long-range tasks compared to recent layers that are specifically designed for this purpose. In this work, drawing inspiration from key attributes of long-range layers, such as state-space layers, linear RNN layers, and global convolution layers, we demonstrate that minimal modifications to the transformer architecture can significantly enhance performance on the Long Range Arena (LRA) benchmark, thus narrowing the gap with these specialized layers. We identify that two key principles for long-range tasks are (i) incorporating an inductive bias towards smoothness, and (ii) locality. As we show, integrating these ideas into the attention mechanism improves results with a negligible amount of additional computation and without any additional trainable parameters. Our theory and experiments also shed light on the reasons for the inferior performance of transformers on long-range tasks and identify critical properties that are essential for successfully capturing long-range dependencies.  ( 2 min )

Computational Fluid Dynamics (CFD) is used in the design and optimization of gas turbines and many other industrial/ scientific applications. However, the practical use is often limited by the high computational cost, and the accurate resolution of near-wall flow is a significant contributor to this cost. Machine learning (ML) and other data-driven methods can complement existing wall models. Nevertheless, training these models is bottlenecked by the large computational effort and memory footprint demanded by back-propagation. Recent work has presented alternatives for computing gradients of neural networks where a separate forward and backward sweep is not needed and storage of intermediate results between sweeps is not required because an unbiased estimator for the gradient is computed in a single forward sweep. In this paper, we discuss the application of this approach for training a subgrid wall model that could potentially be used as a surrogate in wall-bounded flow CFD simulations to reduce the computational overhead while preserving predictive accuracy.  ( 2 min )

Over the past few years, graph neural networks (GNNs) have become powerful and practical tools for learning on (static) graph-structure data. However, many real-world applications, such as social networks and e-commerce, involve temporal graphs where nodes and edges are dynamically evolving. Temporal graph neural networks (TGNNs) have progressively emerged as an extension of GNNs to address time-evolving graphs and have gradually become a trending research topic in both academics and industry. Advancing research in such an emerging field requires new tools to compose TGNN models and unify their different schemes in dealing with temporal graphs. To facilitate research and application in temporal graph learning, we introduce LasTGL, an industrial framework that integrates unified and extensible implementations of common temporal graph learning algorithms for various advanced tasks. The purpose of LasTGL is to provide the essential building blocks for solving temporal graph learning tasks, focusing on the guiding principles of user-friendliness and quick prototyping on which PyTorch is based. In particular, LasTGL provides comprehensive temporal graph datasets, TGNN models and utilities along with well-documented tutorials, making it suitable for both absolute beginners and expert deep learning practitioners alike.  ( 2 min )

In the evolving landscape of data science, the accurate quantification of clustering in high-dimensional data sets remains a significant challenge, especially in the absence of predefined labels. This paper introduces a novel approach, the Entropy of Distance Distribution (EDD), which represents a paradigm shift in label-free clustering analysis. Traditional methods, reliant on discrete labels, often struggle to discern intricate cluster patterns in unlabeled data. EDD, however, leverages the characteristic differences in pairwise point-to-point distances to discern clustering tendencies, independent of data labeling. Our method employs the Shannon information entropy to quantify the 'peakedness' or 'flatness' of distance distributions in a data set. This entropy measure, normalized against its maximum value, effectively distinguishes between strongly clustered data (indicated by pronounced peaks in distance distribution) and more homogeneous, non-clustered data sets. This label-free quantification is resilient against global translations and permutations of data points, and with an additional dimension-wise z-scoring, it becomes invariant to data set scaling. We demonstrate the efficacy of EDD through a series of experiments involving two-dimensional data spaces with Gaussian cluster centers. Our findings reveal a monotonic increase in the EDD value with the widening of cluster widths, moving from well-separated to overlapping clusters. This behavior underscores the method's sensitivity and accuracy in detecting varying degrees of clustering. EDD's potential extends beyond conventional clustering analysis, offering a robust, scalable tool for unraveling complex data structures without reliance on pre-assigned labels.  ( 2 min )

Missing data are frequently observed by practitioners and researchers in the building energy modeling community. In this regard, advanced data-driven solutions, such as Deep Learning methods, are typically required to reflect the non-linear behavior of these anomalies. As an ongoing research question related to Deep Learning, a model's applicability to limited data settings can be explored by introducing prior knowledge in the network. This same strategy can also lead to more interpretable predictions, hence facilitating the field application of the approach. For that purpose, the aim of this paper is to propose the use of Physics-informed Denoising Autoencoders (PI-DAE) for missing data imputation in commercial buildings. In particular, the presented method enforces physics-inspired soft constraints to the loss function of a Denoising Autoencoder (DAE). In order to quantify the benefits of the physical component, an ablation study between different DAE configurations is conducted. First, three univariate DAEs are optimized separately on indoor air temperature, heating, and cooling data. Then, two multivariate DAEs are derived from the previous configurations. Eventually, a building thermal balance equation is coupled to the last multivariate configuration to obtain PI-DAE. Additionally, two commonly used benchmarks are employed to support the findings. It is shown how introducing physical knowledge in a multivariate Denoising Autoencoder can enhance the inherent model interpretability through the optimized physics-based coefficients. While no significant improvement is observed in terms of reconstruction error with the proposed PI-DAE, its enhanced robustness to varying rates of missing data and the valuable insights derived from the physics-based coefficients create opportunities for wider applications within building systems and the built environment.  ( 3 min )

Dynamic systems of graph signals are encountered in various applications, including social networks, power grids, and transportation. While such systems can often be described as state space (SS) models, tracking graph signals via conventional tools based on the Kalman filter (KF) and its variants is typically challenging. This is due to the nonlinearity, high dimensionality, irregularity of the domain, and complex modeling associated with real-world dynamic systems of graph signals. In this work, we study the tracking of graph signals using a hybrid model-based/data-driven approach. We develop the GSP-KalmanNet, which tracks the hidden graphical states from the graphical measurements by jointly leveraging graph signal processing (GSP) tools and deep learning (DL) techniques. The derivations of the GSP-KalmanNet are based on extending the KF to exploit the inherent graph structure via graph frequency domain filtering, which considerably simplifies the computational complexity entailed in processing high-dimensional signals and increases the robustness to small topology changes. Then, we use data to learn the Kalman gain following the recently proposed KalmanNet framework, which copes with partial and approximated modeling, without forcing a specific model over the noise statistics. Our empirical results demonstrate that the proposed GSP-KalmanNet achieves enhanced accuracy and run time performance as well as improved robustness to model misspecifications compared with both model-based and data-driven benchmarks.  ( 2 min )

Replaying data is a principal mechanism underlying the stability and data efficiency of off-policy reinforcement learning (RL). We present an effective yet simple framework to extend the use of replays across multiple experiments, minimally adapting the RL workflow for sizeable improvements in controller performance and research iteration times. At its core, Replay Across Experiments (RaE) involves reusing experience from previous experiments to improve exploration and bootstrap learning while reducing required changes to a minimum in comparison to prior work. We empirically show benefits across a number of RL algorithms and challenging control domains spanning both locomotion and manipulation, including hard exploration tasks from egocentric vision. Through comprehensive ablations, we demonstrate robustness to the quality and amount of data available and various hyperparameter choices. Finally, we discuss how our approach can be applied more broadly across research life cycles and can increase resilience by reloading data across random seeds or hyperparameter variations.  ( 2 min )

Electroanatomical mapping is a technique used in cardiology to create a detailed 3D map of the electrical activity in the heart. It is useful for diagnosis, treatment planning and real time guidance in cardiac ablation procedures to treat arrhythmias like atrial fibrillation. A probabilistic machine learning model trained on a library of CT/MRI scans of the heart can be used during electroanatomical mapping to generate a patient-specific 3D model of the chamber being mapped. The use of probabilistic machine learning models under a Bayesian framework provides a way to quantify uncertainty in results and provide a natural framework of interpretability of the model. Here we introduce a Bayesian approach to surface reconstruction of cardiac chamber models from a sparse 3D point cloud data acquired during electroanatomical mapping. We show how probabilistic graphical models trained on segmented CT/MRI data can be used to generate cardiac chamber models from few acquired locations thereby reducing procedure time and x-ray exposure. We show how they provide insight into what the neural network learns from the segmented CT/MRI images used to train the network, which provides explainability to the resulting cardiac chamber models generated by the model.  ( 2 min )

In our era of enormous neural networks, empirical progress has been driven by the philosophy that more is better. Recent deep learning practice has found repeatedly that larger model size, more data, and more computation (resulting in lower training loss) improves performance. In this paper, we give theoretical backing to these empirical observations by showing that these three properties hold in random feature (RF) regression, a class of models equivalent to shallow networks with only the last layer trained. Concretely, we first show that the test risk of RF regression decreases monotonically with both the number of features and the number of samples, provided the ridge penalty is tuned optimally. In particular, this implies that infinite width RF architectures are preferable to those of any finite width. We then proceed to demonstrate that, for a large class of tasks characterized by powerlaw eigenstructure, training to near-zero training loss is obligatory: near-optimal performance can only be achieved when the training error is much smaller than the test error. Grounding our theory in real-world data, we find empirically that standard computer vision tasks with convolutional neural tangent kernels clearly fall into this class. Taken together, our results tell a simple, testable story of the benefits of overparameterization, overfitting, and more data in random feature models.  ( 3 min )

In this work, we conduct an assessment of the optimization capabilities of LLMs across various tasks and data sizes. Each of these tasks corresponds to unique optimization domains, and LLMs are required to execute these tasks with interactive prompting. That is, in each optimization step, the LLM generates new solutions from the past generated solutions with their values, and then the new solutions are evaluated and considered in the next optimization step. Additionally, we introduce three distinct metrics for a comprehensive assessment of task performance from various perspectives. These metrics offer the advantage of being applicable for evaluating LLM performance across a broad spectrum of optimization tasks and are less sensitive to variations in test samples. By applying these metrics, we observe that LLMs exhibit strong optimization capabilities when dealing with small-sized samples. However, their performance is significantly influenced by factors like data size and values, underscoring the importance of further research in the domain of optimization tasks for LLMs.  ( 2 min )

Optimization problems involving minimization of a rank-one convex function over constraints modeling restrictions on the support of the decision variables emerge in various machine learning applications. These problems are often modeled with indicator variables for identifying the support of the continuous variables. In this paper we investigate compact extended formulations for such problems through perspective reformulation techniques. In contrast to the majority of previous work that relies on support function arguments and disjunctive programming techniques to provide convex hull results, we propose a constructive approach that exploits a hidden conic structure induced by perspective functions. To this end, we first establish a convex hull result for a general conic mixed-binary set in which each conic constraint involves a linear function of independent continuous variables and a set of binary variables. We then demonstrate that extended representations of sets associated with epigraphs of rank-one convex functions over constraints modeling indicator relations naturally admit such a conic representation. This enables us to systematically give perspective formulations for the convex hull descriptions of these sets with nonlinear separable or non-separable objective functions, sign constraints on continuous variables, and combinatorial constraints on indicator variables. We illustrate the efficacy of our results on sparse nonnegative logistic regression problems.  ( 2 min )

Derivative training is a known method that significantly improves the accuracy of neural networks in some low-dimensional applications. In this paper, a similar improvement is obtained for an image analysis problem: reconstructing the vertices of a cube from its image. By training the derivatives with respect to the 6 degrees of freedom of the cube, we obtain 25 times more accurate results for noiseless inputs. The derivatives also offer insight into the robustness problem, which is currently understood in terms of two types of network vulnerabilities. The first type involves small perturbations that dramatically change the output, and the second type relates to substantial image changes that the network erroneously ignores. Defense against each is possible, but safeguarding against both while maintaining the accuracy defies conventional training methods. The first type is analyzed using the network's gradient, while the second relies on human input evaluation, serving as an oracle substitute. For the task at hand, the nearest neighbor oracle can be defined and expanded into Taylor series using image derivatives. This allows for a robustness analysis that unifies both types of vulnerabilities and enables training where accuracy and universal robustness are limited only by network capacity.  ( 2 min )

The travel time data collected from widespread traffic monitoring sensors necessitate big data analytic tools for querying, visualization, and identifying meaningful traffic patterns. This paper utilizes a large-scale travel time dataset from Caltrans Performance Measurement System (PeMS) system that is an overflow for traditional data processing and modeling tools. To overcome the challenges of the massive amount of data, the big data analytic engines Apache Spark and Apache MXNet are applied for data wrangling and modeling. Seasonality and autocorrelation were performed to explore and visualize the trend of time-varying data. Inspired by the success of the hierarchical architecture for many Artificial Intelligent (AI) tasks, we consolidate the cell and hidden states passed from low-level to the high-level LSTM with an attention pooling similar to how the human perception system operates. The designed hierarchical LSTM model can consider the dependencies at different time scales to capture the spatial-temporal correlations of network-level travel time. Another self-attention module is then devised to connect LSTM extracted features to the fully connected layers, predicting travel time for all corridors instead of a single link/route. The comparison results show that the Hierarchical LSTM with Attention (HierLSTMat) model gives the best prediction results at 30-minute and 45-min horizons and can successfully forecast unusual congestion. The efficiency gained from big data analytic tools was evaluated by comparing them with popular data science and deep learning frameworks.  ( 3 min )

Graph Neural Networks (GNNs) that are based on the message passing (MP) paradigm generally exchange information between 1-hop neighbors to build node representations at each layer. In principle, such networks are not able to capture long-range interactions (LRI) that may be desired or necessary for learning a given task on graphs. Recently, there has been an increasing interest in development of Transformer-based methods for graphs that can consider full node connectivity beyond the original sparse structure, thus enabling the modeling of LRI. However, MP-GNNs that simply rely on 1-hop message passing often fare better in several existing graph benchmarks when combined with positional feature representations, among other innovations, hence limiting the perceived utility and ranking of Transformer-like architectures. Here, we present the Long Range Graph Benchmark (LRGB) with 5 graph learning datasets: PascalVOC-SP, COCO-SP, PCQM-Contact, Peptides-func and Peptides-struct that arguably require LRI reasoning to achieve strong performance in a given task. We benchmark both baseline GNNs and Graph Transformer networks to verify that the models which capture long-range dependencies perform significantly better on these tasks. Therefore, these datasets are suitable for benchmarking and exploration of MP-GNNs and Graph Transformer architectures that are intended to capture LRI.  ( 3 min )

Self-supervised contrastive learning (SSCL) has achieved significant milestones in remote sensing image (RSI) understanding. Its essence lies in designing an unsupervised instance discrimination pretext task to extract image features from a large number of unlabeled images that are beneficial for downstream tasks. However, existing instance discrimination based SSCL suffer from two limitations when applied to the RSI semantic segmentation task: 1) Positive sample confounding issue; 2) Feature adaptation bias. It introduces a feature adaptation bias when applied to semantic segmentation tasks that require pixel-level or object-level features. In this study, We observed that the discrimination information can be mapped to specific regions in RSI through the gradient of unsupervised contrastive loss, these specific regions tend to contain singular ground objects. Based on this, we propose contrastive learning with Gradient guided Sampling Strategy (GraSS) for RSI semantic segmentation. GraSS consists of two stages: Instance Discrimination warm-up (ID warm-up) and Gradient guided Sampling contrastive training (GS training). The ID warm-up aims to provide initial discrimination information to the contrastive loss gradients. The GS training stage aims to utilize the discrimination information contained in the contrastive loss gradients and adaptively select regions in RSI patches that contain more singular ground objects, in order to construct new positive and negative samples. Experimental results on three open datasets demonstrate that GraSS effectively enhances the performance of SSCL in high-resolution RSI semantic segmentation. Compared to seven baseline methods from five different types of SSCL, GraSS achieves an average improvement of 1.57\% and a maximum improvement of 3.58\% in terms of mean intersection over the union. The source code is available at https://github.com/GeoX-Lab/GraSS  ( 3 min )

Battery degradation remains a pivotal concern in the energy storage domain, with machine learning emerging as a potent tool to drive forward insights and solutions. However, this intersection of electrochemical science and machine learning poses complex challenges. Machine learning experts often grapple with the intricacies of battery science, while battery researchers face hurdles in adapting intricate models tailored to specific datasets. Beyond this, a cohesive standard for battery degradation modeling, inclusive of data formats and evaluative benchmarks, is conspicuously absent. Recognizing these impediments, we present BatteryML - a one-step, all-encompass, and open-source platform designed to unify data preprocessing, feature extraction, and the implementation of both traditional and state-of-the-art models. This streamlined approach promises to enhance the practicality and efficiency of research applications. BatteryML seeks to fill this void, fostering an environment where experts from diverse specializations can collaboratively contribute, thus elevating the collective understanding and advancement of battery research.The code for our project is publicly available on GitHub at https://github.com/microsoft/BatteryML.  ( 2 min )

Probabilistic Diffusion Models (PDMs) have recently emerged as a very promising class of generative models, achieving high performance in natural image generation. However, their performance relative to non-natural images, like radar-based satellite data, remains largely unknown. Generating large amounts of synthetic (and especially labelled) satellite data is crucial to implement deep-learning approaches for the processing and analysis of (interferometric) satellite aperture radar data. Here, we leverage PDMs to generate several radar-based satellite image datasets. We show that PDMs succeed in generating images with complex and realistic structures, but that sampling time remains an issue. Indeed, accelerated sampling strategies, which work well on simple image datasets like MNIST, fail on our radar datasets. We provide a simple and versatile open-source https://github.com/thomaskerdreux/PDM_SAR_InSAR_generation to train, sample and evaluate PDMs using any dataset on a single GPU.  ( 2 min )

Large pretrained plain vision Transformers (ViTs) have been the workhorse for many downstream tasks. However, existing works utilizing off-the-shelf ViTs are inefficient in terms of training and deployment, because adopting ViTs with individual sizes requires separate trainings and is restricted by fixed performance-efficiency trade-offs. In this paper, we are inspired by stitchable neural networks (SN-Net), which is a new framework that cheaply produces a single model that covers rich subnetworks by stitching pretrained model families, supporting diverse performance-efficiency trade-offs at runtime. Building upon this foundation, we introduce SN-Netv2, a systematically improved model stitching framework to facilitate downstream task adaptation. Specifically, we first propose a two-way stitching scheme to enlarge the stitching space. We then design a resource-constrained sampling strategy that takes into account the underlying FLOPs distributions in the space for better sampling. Finally, we observe that learning stitching layers as a low-rank update plays an essential role on downstream tasks to stabilize training and ensure a good Pareto frontier. With extensive experiments on ImageNet-1K, ADE20K, COCO-Stuff-10K and NYUv2, SN-Netv2 demonstrates superior performance over SN-Netv1 on downstream dense predictions and shows strong ability as a flexible vision backbone, achieving great advantages in both training efficiency and deployment flexibility. Code is available at https://github.com/ziplab/SN-Netv2.

LARS and LAMB have emerged as prominent techniques in Large Batch Learning (LBL) to ensure training stability in AI. Convergence stability is a challenge in LBL, where the AI agent usually gets trapped in the sharp minimizer. To address this challenge, warm-up is an efficient technique, but it lacks a strong theoretical foundation. Specifically, the warm-up process often reduces gradients in the early phase, inadvertently preventing the agent from escaping the sharp minimizer early on. In light of this situation, we conduct empirical experiments to analyze the behaviors of LARS and LAMB with and without a warm-up strategy. Our analyses give a comprehensive insight into the behaviors of LARS, LAMB, and the necessity of a warm-up technique in LBL, including an explanation of their failure in many cases. Building upon these insights, we propose a novel algorithm called Time Varying LARS (TVLARS), which facilitates robust training in the initial phase without the need for warm-up. A configurable sigmoid-like function is employed in TVLARS to replace the warm-up process to enhance training stability. Moreover, TVLARS stimulates gradient exploration in the early phase, thus allowing it to surpass the sharp minimizes early on and gradually transition to LARS and achieving robustness of LARS in the latter phases. Extensive experimental evaluations reveal that TVLARS consistently outperforms LARS and LAMB in most cases, with improvements of up to 2% in classification scenarios. Notably, in every case of self-supervised learning, TVLARS dominates LARS and LAMB with performance improvements of up to 10%.

We formulate the predicted-updates dynamic model, one of the first beyond-worst-case models for dynamic algorithms, which generalizes a large set of well-studied dynamic models including the offline dynamic, incremental, and decremental models to the fully dynamic setting when given predictions about the update times of the elements. In the most basic form of our model, we receive a set of predicted update times for all of the updates that occur over the event horizon. We give a novel framework that "lifts" offline divide-and-conquer algorithms into the fully dynamic setting with little overhead. Using this, we are able to interpolate between the offline and fully dynamic settings; when the $\ell_1$ error of the prediction is linear in the number of updates, we achieve the offline runtime of the algorithm (up to $\mathrm{poly} \log n$ factors). Provided a fully dynamic backstop algorithm, our algorithm will never do worse than the backstop algorithm regardless of the prediction error. Furthermore, our framework achieves a smooth linear trade-off between $\ell_1$ error in the predictions and runtime. These correspond to the desiderata of consistency, robustness, and graceful degradation of the algorithms-with-predictions literature. We further extend our techniques to incremental and decremental settings, transforming algorithms in these settings when given predictions of only the deletion and insertion times, respectively. Our framework is general, and we apply it to obtain improved efficiency bounds over the state-of-the-art dynamic algorithms for a variety of problems including triconnectivity, planar digraph all pairs shortest paths, $k$-edge connectivity, and others, for prediction error of reasonable magnitude.

We propose StyleCap, a method to generate natural language descriptions of speaking styles appearing in speech. Although most of conventional techniques for para-/non-linguistic information recognition focus on the category classification or the intensity estimation of pre-defined labels, they cannot provide the reasoning of the recognition result in an interpretable manner. As a first step towards an end-to-end method for generating speaking-style prompts from speech, i.e., automatic speaking-style captioning, StyleCap uses paired data of speech and natural language descriptions to train neural networks that predict prefix vectors fed into a large language model (LLM)-based text decoder from a speech representation vector. We explore an appropriate text decoder and speech feature representation suitable for this new task. The experimental results demonstrate that our StyleCap leveraging richer LLMs for the text decoder, speech self-supervised learning (SSL) features, and sentence rephrasing augmentation improves the accuracy and diversity of generated speaking-style captions. Samples of speaking-style captions generated by our StyleCap are publicly available.

Diffusion models have shown great potential for vision-related tasks, particularly for image generation. However, their training is typically conducted in a centralized manner, relying on data collected from publicly available sources. This approach may not be feasible or practical in many domains, such as the medical field, which involves privacy concerns over data collection. Despite the challenges associated with privacy-sensitive data, such domains could still benefit from valuable vision services provided by diffusion models. Federated learning (FL) plays a crucial role in enabling decentralized model training without compromising data privacy. Instead of collecting data, an FL system gathers model parameters, effectively safeguarding the private data of different parties involved. This makes FL systems vital for managing decentralized learning tasks, especially in scenarios where privacy-sensitive data is distributed across a network of clients. Nonetheless, FL presents its own set of challenges due to its distributed nature and privacy-preserving properties. Therefore, in this study, we explore the FL strategy to train diffusion models, paving the way for the development of federated diffusion models. We conduct experiments on various FL scenarios, and our findings demonstrate that federated diffusion models have great potential to deliver vision services to privacy-sensitive domains.

Compute-in-memory (CIM) accelerators built upon non-volatile memory (NVM) devices excel in energy efficiency and latency when performing Deep Neural Network (DNN) inference, thanks to their in-situ data processing capability. However, the stochastic nature and intrinsic variations of NVM devices often result in performance degradation in DNN inference. Introducing these non-ideal device behaviors during DNN training enhances robustness, but drawbacks include limited accuracy improvement, reduced prediction confidence, and convergence issues. This arises from a mismatch between the deterministic training and non-deterministic device variations, as such training, though considering variations, relies solely on the model's final output. In this work, we draw inspiration from the control theory and propose a novel training concept: Negative Feedback Training (NFT) leveraging the multi-scale noisy information captured from network. We develop two specific NFT instances, Oriented Variational Forward (OVF) and Intermediate Representation Snapshot (IRS). Extensive experiments show that our methods outperform existing state-of-the-art methods with up to a 46.71% improvement in inference accuracy while reducing epistemic uncertainty, boosting output confidence, and improving convergence probability. Their effectiveness highlights the generality and practicality of our NFT concept in enhancing DNN robustness against device variations.

Quantization is an indispensable technique for serving Large Language Models (LLMs) and has recently found its way into LoRA fine-tuning. In this work we focus on the scenario where quantization and LoRA fine-tuning are applied together on a pre-trained model. In such cases it is common to observe a consistent gap in the performance on downstream tasks between full fine-tuning and quantization plus LoRA fine-tuning approach. In response, we propose LoftQ (LoRA-Fine-Tuning-aware Quantization), a novel quantization framework that simultaneously quantizes an LLM and finds a proper low-rank initialization for LoRA fine-tuning. Such an initialization alleviates the discrepancy between the quantized and full-precision model and significantly improves generalization in downstream tasks. We evaluate our method on natural language understanding, question answering, summarization, and natural language generation tasks. Experiments show that our method is highly effective and outperforms existing quantization methods, especially in the challenging 2-bit and 2/4-bit mixed precision regimes. The code is available on https://github.com/yxli2123/LoftQ.

This paper develops a Distributed Differentiable Dynamic Game (D3G) framework, which can efficiently solve the forward and inverse problems in multi-robot coordination. We formulate multi-robot coordination as a dynamic game, where the behavior of a robot is dictated by its own dynamics and objective that also depends on others' behavior. In the forward problem, D3G enables all robots collaboratively to seek the Nash equilibrium of the game in a distributed manner, by developing a distributed shooting-based Nash solver. In the inverse problem, where each robot aims to find (learn) its objective (and dynamics) parameters to mimic given coordination demonstrations, D3G proposes a differentiation solver based on Differential Pontryagin's Maximum Principle, which allows each robot to update its parameters in a distributed and coordinated manner. We test the D3G in simulation with two types of robots given different task configurations. The results demonstrate the effectiveness of D3G for solving both forward and inverse problems in comparison with existing methods.  ( 2 min )

Differentiable Search Indices (DSIs) encode a corpus of documents in model parameters and use the same model to answer user queries directly. Despite the strong performance of DSI models, deploying them in situations where the corpus changes over time is computationally expensive because reindexing the corpus requires re-training the model. In this work, we introduce DSI++, a continual learning challenge for DSI to incrementally index new documents while being able to answer queries related to both previously and newly indexed documents. Across different model scales and document identifier representations, we show that continual indexing of new documents leads to considerable forgetting of previously indexed documents. We also hypothesize and verify that the model experiences forgetting events during training, leading to unstable learning. To mitigate these issues, we investigate two approaches. The first focuses on modifying the training dynamics. Flatter minima implicitly alleviate forgetting, so we optimize for flatter loss basins and show that the model stably memorizes more documents ($+12\%$). Next, we introduce a generative memory to sample pseudo-queries for documents and supplement them during continual indexing to prevent forgetting for the retrieval task. Extensive experiments on novel continual indexing benchmarks based on Natural Questions (NQ) and MS MARCO demonstrate that our proposed solution mitigates forgetting significantly. Concretely, it improves the average Hits@10 by $+21.1\%$ over competitive baselines for NQ and requires $6$ times fewer model updates compared to re-training the DSI model for incrementally indexing five corpora in a sequence.  ( 3 min )

The spread of fake news using out-of-context images has become widespread and is a challenging task in this era of information overload. Since annotating huge amounts of such data requires significant time of domain experts, it is imperative to develop methods which can work in limited annotated data scenarios. In this work, we explore whether out-of-domain data can help to improve out-of-context misinformation detection (termed here as multi-modal fake news detection) of a desired domain, eg. politics, healthcare, etc. Towards this goal, we propose a novel framework termed DPOD (Domain-specific Prompt-tuning using Out-of-Domain data). First, to compute generalizable features, we modify the Vision-Language Model, CLIP to extract features that helps to align the representations of the images and corresponding text captions of both the in-domain and out-of-domain data in a label-aware manner. Further, we propose a domain-specific prompt learning technique which leverages the training samples of all the available domains based on the the extent they can be useful to the desired domain. Extensive experiments on a large-scale benchmark dataset, namely NewsClippings demonstrate that the proposed framework achieves state of-the-art performance, significantly surpassing the existing approaches for this challenging task.

Machine learning models -- including prominent zero-shot models -- are often trained on datasets whose labels are only a small proportion of a larger label space. Such spaces are commonly equipped with a metric that relates the labels via distances between them. We propose a simple approach to exploit this information to adapt the trained model to reliably predict new classes -- or, in the case of zero-shot prediction, to improve its performance -- without any additional training. Our technique is a drop-in replacement of the standard prediction rule, swapping argmax with the Fr\'echet mean. We provide a comprehensive theoretical analysis for this approach, studying (i) learning-theoretic results trading off label space diameter, sample complexity, and model dimension, (ii) characterizations of the full range of scenarios in which it is possible to predict any unobserved class, and (iii) an optimal active learning-like next class selection procedure to obtain optimal training classes for when it is not possible to predict the entire range of unobserved classes. Empirically, using easily-available external metrics, our proposed approach, Loki, gains up to 29.7% relative improvement over SimCLR on ImageNet and scales to hundreds of thousands of classes. When no such metric is available, Loki can use self-derived metrics from class embeddings and obtains a 10.5% improvement on pretrained zero-shot models such as CLIP.

Generalized Additive Models (GAMs) have recently experienced a resurgence in popularity due to their interpretability, which arises from expressing the target value as a sum of non-linear transformations of the features. Despite the current enthusiasm for GAMs, their susceptibility to concurvity - i.e., (possibly non-linear) dependencies between the features - has hitherto been largely overlooked. Here, we demonstrate how concurvity can severly impair the interpretability of GAMs and propose a remedy: a conceptually simple, yet effective regularizer which penalizes pairwise correlations of the non-linearly transformed feature variables. This procedure is applicable to any differentiable additive model, such as Neural Additive Models or NeuralProphet, and enhances interpretability by eliminating ambiguities due to self-canceling feature contributions. We validate the effectiveness of our regularizer in experiments on synthetic as well as real-world datasets for time-series and tabular data. Our experiments show that concurvity in GAMs can be reduced without significantly compromising prediction quality, improving interpretability and reducing variance in the feature importances.  ( 2 min )

Image outlier detection (OD) is an essential tool to ensure the quality and accuracy of image datasets used in computer vision tasks. Most existing approaches, however, require a set of in-distribution data for training prior to outlier prediction. The quality and quantity of the data can influence the resulting performance. Thus, selecting a suitable in-distribution set often requires considerable effort. In this work, we propose RANSAC-NN, an unsupervised image OD algorithm designed to detect outliers within contaminated sets in a one-class classification fashion. Without any training, RANSAC-NN performs favorably in comparison to other well-established methods in a variety of OD benchmarks. Furthermore, we show that our method can enhance the robustness of existing OD methods by simply applying RANSAC-NN during pre-processing.

The quest for accurate prediction of drug molecule properties poses a fundamental challenge in the realm of Artificial Intelligence Drug Discovery (AIDD). An effective representation of drug molecules emerges as a pivotal component in this pursuit. Contemporary leading-edge research predominantly resorts to self-supervised learning (SSL) techniques to extract meaningful structural representations from large-scale, unlabeled molecular data, subsequently fine-tuning these representations for an array of downstream tasks. However, an inherent shortcoming of these studies lies in their singular reliance on one modality of molecular information, such as molecule image or SMILES representations, thus neglecting the potential complementarity of various molecular modalities. In response to this limitation, we propose MolIG, a novel MultiModaL molecular pre-training framework for predicting molecular properties based on Image and Graph structures. MolIG model innovatively leverages the coherence and correlation between molecule graph and molecule image to execute self-supervised tasks, effectively amalgamating the strengths of both molecular representation forms. This holistic approach allows for the capture of pivotal molecular structural characteristics and high-level semantic information. Upon completion of pre-training, Graph Neural Network (GNN) Encoder is used for the prediction of downstream tasks. In comparison to advanced baseline models, MolIG exhibits enhanced performance in downstream tasks pertaining to molecular property prediction within benchmark groups such as MoleculeNet Benchmark Group and ADMET Benchmark Group.

Out-of-distribution (OOD) detection is a crucial task for ensuring the reliability and robustness of machine learning models. Recent works have shown that generative models often assign high confidence scores to OOD samples, indicating that they fail to capture the semantic information of the data. To tackle this problem, we take advantage of sample repairing and propose a novel OOD detection framework, namely SR-OOD. Our framework leverages the idea that repairing an OOD sample can reveal its semantic inconsistency with the in-distribution data. Specifically, our framework consists of two components: a sample repairing module and a detection module. The sample repairing module applies erosion to an input sample and uses a generative adversarial network to repair it. The detection module then determines whether the input sample is OOD using a distance metric. Our framework does not require any additional data or label information for detection, making it applicable to various scenarios. We conduct extensive experiments on three image datasets: CIFAR-10, CelebA, and Pokemon. The results demonstrate that our approach achieves superior performance over the state-of-the-art generative methods in OOD detection.  ( 2 min )

Diffusion model has emerged as the \emph{de-facto} model for image generation, yet the heavy training overhead hinders its broader adoption in the research community. We observe that diffusion models are commonly trained to learn all fine-grained visual information from scratch. This paradigm may cause unnecessary training costs hence requiring in-depth investigation. In this work, we show that it suffices to train a strong diffusion model by first pre-training the model to learn some primer distribution that loosely characterizes the unknown real image distribution. Then the pre-trained model can be fine-tuned for various generation tasks efficiently. In the pre-training stage, we propose to mask a high proportion (e.g., up to 90\%) of input images to approximately represent the primer distribution and introduce a masked denoising score matching objective to train a model to denoise visible areas. In subsequent fine-tuning stage, we efficiently train diffusion model without masking. Utilizing the two-stage training framework, we achieves significant training acceleration and a new FID score record of 6.27 on CelebA-HQ $256 \times 256$ for ViT-based diffusion models. The generalizability of a pre-trained model further helps building models that perform better than ones trained from scratch on different downstream datasets. For instance, a diffusion model pre-trained on VGGFace2 attains a 46\% quality improvement when fine-tuned on a different dataset that contains only 3000 images. Our code is available at \url{https://github.com/jiachenlei/maskdm}.

Graph Neural Networks (GNNs) have become the de-facto standard tool for modeling relational data. However, while many real-world graphs are directed, the majority of today's GNN models discard this information altogether by simply making the graph undirected. The reasons for this are historical: 1) many early variants of spectral GNNs explicitly required undirected graphs, and 2) the first benchmarks on homophilic graphs did not find significant gain from using direction. In this paper, we show that in heterophilic settings, treating the graph as directed increases the effective homophily of the graph, suggesting a potential gain from the correct use of directionality information. To this end, we introduce Directed Graph Neural Network (Dir-GNN), a novel general framework for deep learning on directed graphs. Dir-GNN can be used to extend any Message Passing Neural Network (MPNN) to account for edge directionality information by performing separate aggregations of the incoming and outgoing edges. We prove that Dir-GNN matches the expressivity of the Directed Weisfeiler-Lehman test, exceeding that of conventional MPNNs. In extensive experiments, we validate that while our framework leaves performance unchanged on homophilic datasets, it leads to large gains over base models such as GCN, GAT and GraphSage on heterophilic benchmarks, outperforming much more complex methods and achieving new state-of-the-art results.

Self-supervised learning (SSL) has emerged as a powerful technique for learning rich representations from unlabeled data. The data representations are able to capture many underlying attributes of data, and be useful in downstream prediction tasks. In real-world settings, spurious correlations between some attributes (e.g. race, gender and age) and labels for downstream tasks often exist, e.g. cancer is usually more prevalent among elderly patients. In this paper, we investigate SSL in the presence of spurious correlations and show that the SSL training loss can be minimized by capturing only a subset of the conspicuous features relevant to those sensitive attributes, despite the presence of other important predictive features for the downstream tasks. To address this issue, we investigate the learning dynamics of SSL and observe that the learning is slower for samples that conflict with such correlations (e.g. elder patients without cancer). Motivated by these findings, we propose a learning-speed aware SSL (LA-SSL) approach, in which we sample each training data with a probability that is inversely related to its learning speed. We evaluate LA-SSL on three datasets that exhibit spurious correlations between different attributes, demonstrating that it improves the robustness of pretrained representations on downstream classification tasks.

Two key questions in cardiac image analysis are to assess the anatomy and motion of the heart from images; and to understand how they are associated with non-imaging clinical factors such as gender, age and diseases. While the first question can often be addressed by image segmentation and motion tracking algorithms, our capability to model and to answer the second question is still limited. In this work, we propose a novel conditional generative model to describe the 4D spatio-temporal anatomy of the heart and its interaction with non-imaging clinical factors. The clinical factors are integrated as the conditions of the generative modelling, which allows us to investigate how these factors influence the cardiac anatomy. We evaluate the model performance in mainly two tasks, anatomical sequence completion and sequence generation. The model achieves a high performance in anatomical sequence completion, comparable to or outperforming other state-of-the-art generative models. In terms of sequence generation, given clinical conditions, the model can generate realistic synthetic 4D sequential anatomies that share similar distributions with the real data.  ( 2 min )

Graph Neural Networks (GNNs) have achieved notable success in learning from graph-structured data, owing to their ability to capture intricate dependencies and relationships between nodes. They excel in various applications, including semi-supervised node classification, link prediction, and graph generation. However, it is important to acknowledge that the majority of state-of-the-art GNN models are built upon the assumption of an in-distribution setting, which hinders their performance on real-world graphs with dynamic structures. In this article, we aim to assess the impact of training GNNs on localized subsets of the graph. Such restricted training data may lead to a model that performs well in the specific region it was trained on but fails to generalize and make accurate predictions for the entire graph. In the context of graph-based semi-supervised learning (SSL), resource constraints often lead to scenarios where the dataset is large, but only a portion of it can be labeled, affecting the model's performance. This limitation affects tasks like anomaly detection or spam detection when labeling processes are biased or influenced by human subjectivity. To tackle the challenges posed by localized training data, we approach the problem as an out-of-distribution (OOD) data issue by by aligning the distributions between the training data, which represents a small portion of labeled data, and the graph inference process that involves making predictions for the entire graph. We propose a regularization method to minimize distributional discrepancies between localized training data and graph inference, improving model performance on OOD data. Extensive tests on popular GNN models show significant performance improvement on three citation GNN benchmark datasets. The regularization approach effectively enhances model adaptation and generalization, overcoming challenges posed by OOD data.  ( 3 min )

Reliable forecasting of traffic flow requires efficient modeling of traffic data. Different correlations and influences arise in a dynamic traffic network, making modeling a complicated task. Existing literature has proposed many different methods to capture the complex underlying spatial-temporal relations of traffic networks. However, methods still struggle to capture different local and global dependencies of long-range nature. Also, as more and more sophisticated methods are being proposed, models are increasingly becoming memory-heavy and, thus, unsuitable for low-powered devices. In this paper, we focus on solving these problems by proposing a novel deep learning framework - STLGRU. Specifically, our proposed STLGRU can effectively capture both local and global spatial-temporal relations of a traffic network using memory-augmented attention and gating mechanism. Instead of employing separate temporal and spatial components, we show that our memory module and gated unit can learn the spatial-temporal dependencies successfully, allowing for reduced memory usage with fewer parameters. We extensively experiment on several real-world traffic prediction datasets to show that our model performs better than existing methods while the memory footprint remains lower. Code is available at \url{https://github.com/Kishor-Bhaumik/STLGRU}.  ( 2 min )

Large language models (LLMs) trained on huge corpora of text datasets demonstrate intriguing capabilities, achieving state-of-the-art performance on tasks they were not explicitly trained for. The precise nature of LLM capabilities is often mysterious, and different prompts can elicit different capabilities through in-context learning. We propose a framework that enables us to analyze in-context learning dynamics to understand latent concepts underlying LLMs' behavioral patterns. This provides a more nuanced understanding than success-or-failure evaluation benchmarks, but does not require observing internal activations as a mechanistic interpretation of circuits would. Inspired by the cognitive science of human randomness perception, we use random binary sequences as context and study dynamics of in-context learning by manipulating properties of context data, such as sequence length. In the latest GPT-3.5+ models, we find emergent abilities to generate seemingly random numbers and learn basic formal languages, with striking in-context learning dynamics where model outputs transition sharply from seemingly random behaviors to deterministic repetition.  ( 2 min )

Knowledge distillation (KD) can enable collaborative learning among distributed clients that have different model architectures and do not share their local data and model parameters with others. Each client updates its local model using the average model output/feature of all client models as the target, known as federated KD. However, existing federated KD methods often do not perform well when clients' local models are trained with heterogeneous local datasets. In this paper, we propose Federated knowledge distillation enabled by Adversarial Learning (FedAL) to address the data heterogeneity among clients. First, to alleviate the local model output divergence across clients caused by data heterogeneity, the server acts as a discriminator to guide clients' local model training to achieve consensus model outputs among clients through a min-max game between clients and the discriminator. Moreover, catastrophic forgetting may happen during the clients' local training and global knowledge transfer due to clients' heterogeneous local data. Towards this challenge, we design the less-forgetting regularization for both local training and global knowledge transfer to guarantee clients' ability to transfer/learn knowledge to/from others. Experimental results show that FedAL and its variants achieve higher accuracy than other federated KD baselines.

The worldwide COVID-19 pandemic has profoundly influenced the health and everyday experiences of individuals across the planet. It is a highly contagious respiratory disease requiring early and accurate detection to curb its rapid transmission. Initial testing methods primarily revolved around identifying the genetic composition of the coronavirus, exhibiting a relatively low detection rate and requiring a time-intensive procedure. To address this challenge, experts have suggested using radiological imagery, particularly chest X-rays, as a valuable approach within the diagnostic protocol. This study investigates the potential of leveraging radiographic imaging (X-rays) with deep learning algorithms to swiftly and precisely identify COVID-19 patients. The proposed approach elevates the detection accuracy by fine-tuning with appropriate layers on various established transfer learning models. The experimentation was conducted on a COVID-19 X-ray dataset containing 2000 images. The accuracy rates achieved were impressive of 100% for EfficientNetB4 model. The fine-tuned EfficientNetB4 achieved an excellent accuracy score, showcasing its potential as a robust COVID-19 detection model. Furthermore, EfficientNetB4 excelled in identifying Lung disease using Chest X-ray dataset containing 4,350 Images, achieving remarkable performance with an accuracy of 99.17%, precision of 99.13%, recall of 99.16%, and f1-score of 99.14%. These results highlight the promise of fine-tuned transfer learning for efficient lung detection through medical imaging, especially with X-ray images. This research offers radiologists an effective means of aiding rapid and precise COVID-19 diagnosis and contributes valuable assistance for healthcare professionals in accurately identifying affected patients.

Multivariate time series present challenges to standard machine learning techniques, as they are often unlabeled, high dimensional, noisy, and contain missing data. To address this, we propose T-Rep, a self-supervised method to learn time series representations at a timestep granularity. T-Rep learns vector embeddings of time alongside its feature extractor, to extract temporal features such as trend, periodicity, or distribution shifts from the signal. These time-embeddings are leveraged in pretext tasks, to incorporate smooth and fine-grained temporal dependencies in the representations, as well as reinforce robustness to missing data. We evaluate T-Rep on downstream classification, forecasting, and anomaly detection tasks. It is compared to existing self-supervised algorithms for time series, which it outperforms in all three tasks. We test T-Rep in missing data regimes, where it proves more resilient than its counterparts. Finally, we provide latent space visualisation experiments, highlighting the interpretability of the learned representations.  ( 2 min )

Deep Operator Network (DeepONet) is a neural network framework for learning nonlinear operators such as those from ordinary differential equations (ODEs) describing complex systems. Multiple-input deep neural operators (MIONet) extended DeepONet to allow multiple input functions in different Banach spaces. MIONet offers flexibility in training dataset grid spacing, without constraints on output location. However, it requires offline inputs and cannot handle varying sequence lengths in testing datasets, limiting its real-time application in dynamic complex systems. This work redesigns MIONet, integrating Long Short Term Memory (LSTM) to learn neural operators from time-dependent data. This approach overcomes data discretization constraints and harnesses LSTM's capability with variable-length, real-time data. Factors affecting learning performance, like algorithm extrapolation ability are presented. The framework is enhanced with uncertainty quantification through a novel Bayesian method, sampling from MIONet parameter distributions. Consequently, we develop the B-LSTM-MIONet, incorporating LSTM's temporal strengths with Bayesian robustness, resulting in a more precise and reliable model for noisy datasets.

Numerous open-source and commercial malware detectors are available. However, their efficacy is threatened by new adversarial attacks, whereby malware attempts to evade detection, e.g., by performing feature-space manipulation. In this work, we propose an explainability-guided and model-agnostic testing framework for robustness of malware detectors when confronted with adversarial attacks. The framework introduces the concept of Accrued Malicious Magnitude (AMM) to identify which malware features could be manipulated to maximize the likelihood of evading detection. We then use this framework to test several state-of-the-art malware detectors' abilities to detect manipulated malware. We find that (i) commercial antivirus engines are vulnerable to AMM-guided test cases; (ii) the ability of a manipulated malware generated using one detector to evade detection by another detector (i.e., transferability) depends on the overlap of features with large AMM values between the different detectors; and (iii) AMM values effectively measure the fragility of features (i.e., capability of feature-space manipulation to flip the prediction results) and explain the robustness of malware detectors facing evasion attacks. Our findings shed light on the limitations of current malware detectors, as well as how they can be improved.

Instruction tuning is now a widely adopted approach to aligning large multimodal models (LMMs) to follow human intent. It unifies the data format of vision-language tasks, enabling multi-task joint training. However, vision-language tasks are constantly being created in practice. Instead of always re-training LMMs when new tasks arrive, continual learning offers flexibility for models to continually and efficiently exploit the evolving data. This work aims to explore the following two questions: 1) Do LMMs still suffer from catastrophic forgetting in continual instruction tuning? 2) Are the existing three classes of continual learning methods still applicable to the continual instruction tuning of LMMs? An extensive study is conducted to address the above questions. First, we establish the first benchmark in this setting and reveal that catastrophic forgetting is still observed when continually instruction-tuning LMMs. However, the multi-task joint instruction tuning can facilitate the model's continual learning ability and mitigate forgetting. Second, we integrate and adapt classic continual learning methods to our context, demonstrating the efficacy of data replay and model expansion strategies across diverse scenarios. In contrast, regularization-based methods only perform well on models that have been jointly instruction-tuned on multiple tasks. Third, we delve into the correlation and forgetting dynamics between vision-language task pairs and propose task-similarity-informed regularization and model expansion methods for continual instruction tuning of LMMs. Experimental results show that our approach consistently boosts the model's performance.

Quantum hardware suffers from high error rates and noise, which makes directly running applications on them ineffective. Quantum Error Correction (QEC) is a critical technique towards fault tolerance which encodes the quantum information distributively in multiple data qubits and uses syndrome qubits to check parity. Minimum-Weight-Perfect-Matching (MWPM) is a popular QEC decoder that takes the syndromes as input and finds the matchings between syndromes that infer the errors. However, there are two paramount challenges for MWPM decoders. First, as noise in real quantum systems can drift over time, there is a potential misalignment with the decoding graph's initial weights, leading to a severe performance degradation in the logical error rates. Second, while the MWPM decoder addresses independent errors, it falls short when encountering correlated errors typical on real hardware, such as those in the 2Q depolarizing channel. We propose DGR, an efficient decoding graph edge re-weighting strategy with no quantum overhead. It leverages the insight that the statistics of matchings across decoding iterations offer rich information about errors on real quantum hardware. By counting the occurrences of edges and edge pairs in decoded matchings, we can statistically estimate the up-to-date probabilities of each edge and the correlations between them. The reweighting process includes two vital steps: alignment re-weighting and correlation re-weighting. The former updates the MWPM weights based on statistics to align with actual noise, and the latter adjusts the weight considering edge correlations. Extensive evaluations on surface code and honeycomb code under various settings show that DGR reduces the logical error rate by 3.6x on average-case noise mismatch with exceeding 5000x improvement under worst-case mismatch.

Inferring biological relationships from cellular phenotypes in high-content microscopy screens provides significant opportunity and challenge in biological research. Prior results have shown that deep vision models can capture biological signal better than hand-crafted features. This work explores how self-supervised deep learning approaches scale when training larger models on larger microscopy datasets. Our results show that both CNN- and ViT-based masked autoencoders significantly outperform weakly supervised baselines. At the high-end of our scale, a ViT-L/8 trained on over 3.5-billion unique crops sampled from 93-million microscopy images achieves relative improvements as high as 28% over our best weakly supervised baseline at inferring known biological relationships curated from public databases. Relevant code and select models released with this work can be found at: https://github.com/recursionpharma/maes_microscopy.  ( 2 min )

Quadratic Unconstrained Binary Optimization (QUBO) is a generic technique to model various NP-hard Combinatorial Optimization problems (CO) in the form of binary variables. Ising Hamiltonian is used to model the energy function of a system. QUBO to Ising Hamiltonian is regarded as a technique to solve various canonical optimization problems through quantum optimization algorithms. Recently, PI-GNN, a generic framework, has been proposed to address CO problems over graphs based on Graph Neural Network (GNN) architecture. They introduced a generic QUBO-formulated Hamiltonian-inspired loss function that was directly optimized using GNN. PI-GNN is highly scalable but there lies a noticeable decrease in the number of satisfied constraints when compared to problem-specific algorithms and becomes more pronounced with increased graph densities. Here, We identify a behavioral pattern related to it and devise strategies to improve its performance. Another group of literature uses Reinforcement learning (RL) to solve the aforementioned NP-hard problems using problem-specific reward functions. In this work, we also focus on creating a bridge between the RL-based solutions and the QUBO-formulated Hamiltonian. We formulate and empirically evaluate the compatibility of the QUBO-formulated Hamiltonian as the generic reward function in the RL-based paradigm in the form of rewards. Furthermore, we also introduce a novel Monty Carlo Tree Search-based strategy with GNN where we apply a guided search through manual perturbation of node labels during training. We empirically evaluated our methods and observed up to 44% improvement in the number of constraint violations compared to the PI-GNN.

Monitoring air pollution is of vital importance to the overall health of the population. Unfortunately, devices that can measure air quality can be expensive, and many cities in low and middle-income countries have to rely on a sparse allocation of them. In this paper, we investigate the use of Gaussian Processes for both nowcasting the current air-pollution in places where there are no sensors and forecasting the air-pollution in the future at the sensor locations. In particular, we focus on the city of Kampala in Uganda, using data from AirQo's network of sensors. We demonstrate the advantage of removing outliers, compare different kernel functions and additional inputs. We also compare two sparse approximations to allow for the large amounts of temporal data in the dataset.

Recent advancements in generative machine learning have enabled rapid progress in biological design tools (BDTs) such as protein structure and sequence prediction models. The unprecedented predictive accuracy and novel design capabilities of BDTs present new and significant dual-use risks. For example, their predictive accuracy allows biological agents, whether vaccines or pathogens, to be developed more quickly, while the design capabilities could be used to discover drugs or evade DNA screening techniques. Similar to other dual-use AI systems, BDTs present a wicked problem: how can regulators uphold public safety without stifling innovation? We highlight how current regulatory proposals that are primarily tailored toward large language models may be less effective for BDTs, which require fewer computational resources to train and are often developed in an open-source manner. We propose a range of measures to mitigate the risk that BDTs are misused, across the areas of responsible development, risk assessment, transparency, access management, cybersecurity, and investing in resilience. Implementing such measures will require close coordination between developers and governments.  ( 3 min )

This paper aims to develop a new attribution method to explain the conflict between individual variables' attributions and their coalition's attribution from a fully new perspective. First, we find that the Shapley value can be reformulated as the allocation of Harsanyi interactions encoded by the AI model. Second, based the re-alloction of interactions, we extend the Shapley value to the attribution of coalitions. Third we ective. We derive the fundamental mechanism behind the conflict. This conflict come from the interaction containing partial variables in their coalition.

Current AI-based methods do not provide comprehensible physical interpretations of the utilized data, extracted features, and predictions/inference operations. As a result, deep learning models trained using high-resolution satellite imagery lack transparency and explainability and can be merely seen as a black box, which limits their wide-level adoption. Experts need help understanding the complex behavior of AI models and the underlying decision-making process. The explainable artificial intelligence (XAI) field is an emerging field providing means for robust, practical, and trustworthy deployment of AI models. Several XAI techniques have been proposed for image classification tasks, whereas the interpretation of image segmentation remains largely unexplored. This paper offers to bridge this gap by adapting the recent XAI classification algorithms and making them usable for muti-class image segmentation, where we mainly focus on buildings' segmentation from high-resolution satellite images. To benchmark and compare the performance of the proposed approaches, we introduce a new XAI evaluation methodology and metric based on "Entropy" to measure the model uncertainty. Conventional XAI evaluation methods rely mainly on feeding area-of-interest regions from the image back to the pre-trained (utility) model and then calculating the average change in the probability of the target class. Those evaluation metrics lack the needed robustness, and we show that using Entropy to monitor the model uncertainty in segmenting the pixels within the target class is more suitable. We hope this work will pave the way for additional XAI research for image segmentation and applications in the remote sensing discipline.

Federated learning effectively addresses issues such as data privacy by collaborating across participating devices to train global models. However, factors such as network topology and device computing power can affect its training or communication process in complex network environments. A new network architecture and paradigm with computing-measurable, perceptible, distributable, dispatchable, and manageable capabilities, computing and network convergence (CNC) of 6G networks can effectively support federated learning training and improve its communication efficiency. By guiding the participating devices' training in federated learning based on business requirements, resource load, network conditions, and arithmetic power of devices, CNC can reach this goal. In this paper, to improve the communication efficiency of federated learning in complex networks, we study the communication efficiency optimization of federated learning for computing and network convergence of 6G networks, methods that gives decisions on its training process for different network conditions and arithmetic power of participating devices in federated learning. The experiments address two architectures that exist for devices in federated learning and arrange devices to participate in training based on arithmetic power while achieving optimization of communication efficiency in the process of transferring model parameters. The results show that the method we proposed can (1) cope well with complex network situations (2) effectively balance the delay distribution of participating devices for local training (3) improve the communication efficiency during the transfer of model parameters (4) improve the resource utilization in the network.

Simulation-Based Inference (SBI) is a common name for an emerging family of approaches that infer the model parameters when the likelihood is intractable. Existing SBI methods either approximate the likelihood, such as Approximate Bayesian Computation (ABC) or directly model the posterior, such as Sequential Neural Posterior Estimation (SNPE). While ABC is efficient on low-dimensional problems, on higher-dimensional tasks, it is generally outperformed by SNPE, which leverages function approximation. In this paper, we propose Pseudo-Likelihood Inference (PLI), a new method that brings neural approximation into ABC, making it competitive on challenging Bayesian system identification tasks. By utilizing integral probability metrics, we introduce a smooth likelihood kernel with an adaptive bandwidth that is updated based on information-theoretic trust regions. Thanks to this formulation, our method (i) allows for optimizing neural posteriors via gradient descent, (ii) does not rely on summary statistics, and (iii) enables multiple observations as input. In comparison to SNPE, it leads to improved performance when more data is available. The effectiveness of PLI is evaluated on four classical SBI benchmark tasks and on a highly dynamic physical system, showing particular advantages on stochastic simulations and multi-modal posterior landscapes.

We study the sample complexity of identifying the pure strategy Nash equilibrium (PSNE) in a two-player zero-sum matrix game with noise. Formally, we are given a stochastic model where any learner can sample an entry $(i,j)$ of the input matrix $A\in[-1,1]^{n\times m}$ and observe $A_{i,j}+\eta$ where $\eta$ is a zero-mean 1-sub-Gaussian noise. The aim of the learner is to identify the PSNE of $A$, whenever it exists, with high probability while taking as few samples as possible. Zhou et al. (2017) presents an instance-dependent sample complexity lower bound that depends only on the entries in the row and column in which the PSNE lies. We design a near-optimal algorithm whose sample complexity matches the lower bound, up to log factors. The problem of identifying the PSNE also generalizes the problem of pure exploration in stochastic multi-armed bandits and dueling bandits, and our result matches the optimal bounds, up to log factors, in both the settings.  ( 2 min )

Unimodality, pivotal in statistical analysis, offers insights into dataset structures and drives sophisticated analytical procedures. While unimodality's confirmation is straightforward for one-dimensional data using methods like Silverman's approach and Hartigans' dip statistic, its generalization to higher dimensions remains challenging. By extrapolating one-dimensional unimodality principles to multi-dimensional spaces through linear random projections and leveraging point-to-point distancing, our method, rooted in $\alpha$-unimodality assumptions, presents a novel multivariate unimodality test named mud-pod. Both theoretical and empirical studies confirm the efficacy of our method in unimodality assessment of multidimensional datasets as well as in estimating the number of clusters.

Given the increasing prevalence of wildland fires in the Western US, there is a critical need to develop tools to understand and accurately predict burn severity. We develop a machine learning model to predict post-fire burn severity using pre-fire remotely sensed data. Hydrological, ecological, and topographical variables collected from four regions of California - the sites of the Kincade fire (2019), the CZU Lightning Complex fire (2020), the Windy fire (2021), and the KNP Fire (2021) - are used as predictors of the difference normalized burn ratio. We hypothesize that a Super Learner (SL) algorithm that accounts for spatial autocorrelation using Vecchia's Gaussian approximation will accurately model burn severity. In all combinations of test and training sets explored, the results of our model showed the SL algorithm outperformed standard Linear Regression methods. After fitting and verifying the performance of the SL model, we use interpretable machine learning tools to determine the main drivers of severe burn damage, including greenness, elevation and fire weather variables. These findings provide actionable insights that enable communities to strategize interventions, such as early fire detection systems, pre-fire season vegetation clearing activities, and resource allocation during emergency responses. When implemented, this model has the potential to minimize the loss of human life, property, resources, and ecosystems in California.

Large language models (LLMs) aligned to human preferences via reinforcement learning from human feedback (RLHF) underpin many commercial applications of LLM technology. Despite this, the impacts of RLHF on LLM internals remain opaque. We propose a novel method for interpreting implicit reward models (IRMs) in LLMs learned through RLHF. Our approach trains pairs of autoencoders on activations from a base LLM and its RLHF-tuned variant. Through a comparison of autoencoder hidden spaces, we identify features that reflect the accuracy of the learned IRM. To illustrate our method, we fine-tune an LLM via RLHF to learn a token-utility mapping and maximize the aggregate utility of generated text. This is the first application of sparse autoencoders to interpreting IRMs. Our method provides an abstract approximation of reward integrity and holds promise for measuring alignment between specified objectives and learned model behaviors.  ( 2 min )

Lane detection is a vital task for vehicles to navigate and localize their position on the road. To ensure reliable results, lane detection algorithms must have robust generalization performance in various road environments. However, despite the significant performance improvement of deep learning-based lane detection algorithms, their generalization performance in response to changes in road environments still falls short of expectations. In this paper, we present a novel framework for single-source domain generalization (SSDG) in lane detection. By decomposing data into lane structures and surroundings, we enhance diversity using High-Definition (HD) maps and generative models. Rather than expanding data volume, we strategically select a core subset of data, maximizing diversity and optimizing performance. Our extensive experiments demonstrate that our framework enhances the generalization performance of lane detection, comparable to the domain adaptation-based method.

Defects in laser powder bed fusion (L-PBF) parts often result from the meso-scale dynamics of the molten alloy near the laser, known as the melt pool. For instance, the melt pool can directly contribute to the formation of undesirable porosity, residual stress, and surface roughness in the final part. Experimental in-situ monitoring of the three-dimensional melt pool physical fields is challenging, due to the short length and time scales involved in the process. Multi-physics simulation methods can describe the three-dimensional dynamics of the melt pool, but are computationally expensive at the mesh refinement required for accurate predictions of complex effects, such as the formation of keyhole porosity. Therefore, in this work, we develop a generative deep learning model based on the probabilistic diffusion framework to map low-fidelity, coarse-grained simulation information to the high-fidelity counterpart. By doing so, we bypass the computational expense of conducting multiple high-fidelity simulations for analysis by instead upscaling lightweight coarse mesh simulations. Specifically, we implement a 2-D diffusion model to spatially upscale cross-sections of the coarsely simulated melt pool to their high-fidelity equivalent. We demonstrate the preservation of key metrics of the melting process between the ground truth simulation data and the diffusion model output, such as the temperature field, the melt pool dimensions and the variability of the keyhole vapor cavity. Specifically, we predict the melt pool depth within 3 $\mu m$ based on low-fidelity input data 4$\times$ coarser than the high-fidelity simulations, reducing analysis time by two orders of magnitude.

While there has been significant progress in object detection using conventional image processing and machine learning algorithms, exploring small and dim target detection in the IR domain is a relatively new area of study. The majority of small and dim target detection methods are derived from conventional object detection algorithms, albeit with some alterations. The task of detecting small and dim targets in IR imagery is complex. This is because these targets often need distinct features, the background is cluttered with unclear details, and the IR signatures of the scene can change over time due to fluctuations in thermodynamics. The primary objective of this review is to highlight the progress made in this field. This is the first review in the field of small and dim target detection in infrared imagery, encompassing various methodologies ranging from conventional image processing to cutting-edge deep learning-based approaches. The authors have also introduced a taxonomy of such approaches. There are two main types of approaches: methodologies using several frames for detection, and single-frame-based detection techniques. Single frame-based detection techniques encompass a diverse range of methods, spanning from traditional image processing-based approaches to more advanced deep learning methodologies. Our findings indicate that deep learning approaches perform better than traditional image processing-based approaches. In addition, a comprehensive compilation of various available datasets has also been provided. Furthermore, this review identifies the gaps and limitations in existing techniques, paving the way for future research and development in this area.

A novel method for detecting faults in power grids using a graph neural network (GNN) has been developed, aimed at enhancing intelligent fault diagnosis in network operation and maintenance. This GNN-based approach identifies faulty nodes within the power grid through a specialized electrical feature extraction model coupled with a knowledge graph. Incorporating temporal data, the method leverages the status of nodes from preceding and subsequent time periods to aid in current fault detection. To validate the effectiveness of this GNN in extracting node features, a correlation analysis of the output features from each node within the neural network layer was conducted. The results from experiments show that this method can accurately locate fault nodes in simulated scenarios with a remarkable 99.53% accuracy. Additionally, the graph neural network's feature modeling allows for a qualitative examination of how faults spread across nodes, providing valuable insights for analyzing fault nodes.

We propose a novel algorithm for data augmentation in nonlinear over-parametrized regression. Our data augmentation algorithm borrows from the literature on causality and extends the recently proposed Anchor regression (AR) method for data augmentation, which is in contrast to the current state-of-the-art domain-agnostic solutions that rely on the Mixup literature. Our Anchor Data Augmentation (ADA) uses several replicas of the modified samples in AR to provide more training examples, leading to more robust regression predictions. We apply ADA to linear and nonlinear regression problems using neural networks. ADA is competitive with state-of-the-art C-Mixup solutions.  ( 2 min )

Cyberattacks are increasingly threatening networked systems, often with the emergence of new types of unknown (zero-day) attacks and the rise of vulnerable devices. Such attacks can also target multiple components of a Supply Chain, which can be protected via Machine Learning (ML)-based Intrusion Detection Systems (IDSs). However, the need to learn large amounts of labelled data often limits the applicability of ML-based IDSs to cybersystems that only have access to private local data, while distributed systems such as Supply Chains have multiple components, each of which must preserve its private data while being targeted by the same attack To address this issue, this paper proposes a novel Decentralized and Online Federated Learning Intrusion Detection (DOF-ID) architecture based on the G-Network model with collaborative learning, that allows each IDS used by a specific component to learn from the experience gained in other components, in addition to its own local data, without violating the data privacy of other components. The performance evaluation results using public Kitsune and Bot-IoT datasets show that DOF-ID significantly improves the intrusion detection performance in all of the collaborating components, with acceptable computation time for online learning.

We analyse the geometric instability of embeddings produced by graph neural networks (GNNs). Existing methods are only applicable for small graphs and lack context in the graph domain. We propose a simple, efficient and graph-native Graph Gram Index (GGI) to measure such instability which is invariant to permutation, orthogonal transformation, translation and order of evaluation. This allows us to study the varying instability behaviour of GNN embeddings on large graphs for both node classification and link prediction.

An important task in the field of sensor technology is the efficient implementation of adaptation procedures of measurements from one sensor to another sensor of identical design. One idea is to use the estimation of an affine transformation between different systems, which can be improved by the knowledge of experts. This paper presents an improved solution from Glacier Research that was published back in 1973. The results demonstrate the adaptability of this solution for various applications, including software calibration of sensors, implementation of expert-based adaptation, and paving the way for future advancements such as distributed learning methods. One idea here is to use the knowledge of experts for estimating an affine transformation between different systems. We evaluate our research with simulations and also with real measured data of a multi-sensor board with 8 identical sensors. Both data set and evaluation script are provided for download. The results show an improvement for both the simulation and the experiments with real data.

Recently, the equivariance of models with respect to a group action has become an important topic of research in machine learning. However, imbuing an architecture with a specific group equivariance imposes a strong prior on the types of data transformations that the model expects to see. While strictly-equivariant models enforce symmetries, real-world data does not always conform to such strict equivariances, be it due to noise in the data or underlying physical laws that encode only approximate or partial symmetries. In such cases, the prior of strict equivariance can actually prove too strong and cause models to underperform on real-world data. Therefore, in this work we study a closely related topic, that of almost equivariance. We provide a definition of almost equivariance that differs from those extant in the current literature and give a practical method for encoding almost equivariance in models by appealing to the Lie algebra of a Lie group. Specifically, we define Lie algebra convolutions and demonstrate that they offer several benefits over Lie group convolutions, including being well-defined for non-compact groups. From there, we pivot to the realm of theory and demonstrate connections between the notions of equivariance and isometry and those of almost equivariance and almost isometry, respectively. We prove two existence theorems, one showing the existence of almost isometries within bounded distance of isometries of a general manifold, and another showing the converse for Hilbert spaces. We then extend these theorems to prove the existence of almost equivariant manifold embeddings within bounded distance of fully equivariant embedding functions, subject to certain constraints on the group action and the function class. Finally, we demonstrate the validity of our approach by benchmarking against datasets in fully equivariant and almost equivariant settings.  ( 3 min )

This article presents a method for learning well-coordinated Human-Robot Interaction (HRI) from Human-Human Interactions (HHI). We devise a hybrid approach using Hidden Markov Models (HMMs) as the latent space priors for a Variational Autoencoder to model a joint distribution over the interacting agents. We leverage the interaction dynamics learned from HHI to learn HRI and incorporate the conditional generation of robot motions from human observations into the training, thereby predicting more accurate robot trajectories. The generated robot motions are further adapted with Inverse Kinematics to ensure the desired physical proximity with a human, combining the ease of joint space learning and accurate task space reachability. For contact-rich interactions, we modulate the robot's stiffness using HMM segmentation for a compliant interaction. We verify the effectiveness of our approach deployed on a Humanoid robot via a user study. Our method generalizes well to various humans despite being trained on data from just two humans. We find that Users perceive our method as more human-like, timely, and accurate and rank our method with a higher degree of preference over other baselines.

Algorithmic fairness is of utmost societal importance, yet the current trend in large-scale machine learning models requires training with massive datasets that are frequently biased. In this context, pre-processing methods that focus on modeling and correcting bias in the data emerge as valuable approaches. In this paper, we propose FairShap, a novel instance-level data re-weighting method for fair algorithmic decision-making through data valuation by means of Shapley Values. FairShap is model-agnostic and easily interpretable, as it measures the contribution of each training data point to a predefined fairness metric. We empirically validate FairShap on several state-of-the-art datasets of different nature, with a variety of training scenarios and models and show how it yields fairer models with similar levels of accuracy than the baselines. We illustrate FairShap's interpretability by means of histograms and latent space visualizations. Moreover, we perform a utility-fairness study, and ablation and runtime experiments to illustrate the impact of the size of the reference dataset and FairShap's computational cost depending on the size of the dataset and the number of features. We believe that FairShap represents a promising direction in interpretable and model-agnostic approaches to algorithmic fairness that yield competitive accuracy even when only biased datasets are available.

Reinforcement learning (RL) has shown empirical success in various real world settings with complex models and large state-action spaces. The existing analytical results, however, typically focus on settings with a small number of state-actions or simple models such as linearly modeled state-action value functions. To derive RL policies that efficiently handle large state-action spaces with more general value functions, some recent works have considered nonlinear function approximation using kernel ridge regression. We propose $\pi$-KRVI, an optimistic modification of least-squares value iteration, when the state-action value function is represented by a reproducing kernel Hilbert space (RKHS). We prove the first order-optimal regret guarantees under a general setting. Our results show a significant polynomial in the number of episodes improvement over the state of the art. In particular, with highly non-smooth kernels (such as Neural Tangent kernel or some Mat\'ern kernels) the existing results lead to trivial (superlinear in the number of episodes) regret bounds. We show a sublinear regret bound that is order optimal in the case of Mat\'ern kernels where a lower bound on regret is known.

In recent years, limited research has discussed the loss function in the super-resolution process. The majority of those studies have only used perceptual similarity conventionally. This is while the development of appropriate loss can improve the quality of other methods as well. In this article, a new weighting method for pixel-wise loss is proposed. With the help of this method, it is possible to use trainable weights based on the general structure of the image and its perceptual features while maintaining the advantages of pixel-wise loss. Also, a criterion for comparing weights of loss is introduced so that the weights can be estimated directly by a convolutional neural network. In addition, in this article, the expectation-maximization method is used for the simultaneous estimation super-resolution network and weighting network. In addition, a new activation function, called "FixedSum", is introduced which can keep the sum of all components of vector constants while keeping the output components between zero and one. As experimental results shows, weighted loss by the proposed method leads to better results than the unweighted loss and weighted loss based on uncertainty in both signal-to-noise and perceptual similarity senses on the state-of-the-art networks. Code is available online.

Many problems in machine learning can be formulated as solving entropy-regularized optimal transport on the space of probability measures. The canonical approach involves the Sinkhorn iterates, renowned for their rich mathematical properties. Recently, the Sinkhorn algorithm has been recast within the mirror descent framework, thus benefiting from classical optimization theory insights. Here, we build upon this result by introducing a continuous-time analogue of the Sinkhorn algorithm. This perspective allows us to derive novel variants of Sinkhorn schemes that are robust to noise and bias. Moreover, our continuous-time dynamics not only generalize but also offer a unified perspective on several recently discovered dynamics in machine learning and mathematics, such as the "Wasserstein mirror flow" of (Deb et al. 2023) or the "mean-field Schr\"odinger equation" of (Claisse et al. 2023).  ( 2 min )

Emerging Artificial Intelligence-enabled Internet-of-Things (AI-IoT) System-on-a-Chip (SoC) for augmented reality, personalized healthcare, and nano-robotics need to run many diverse tasks within a power envelope of a few tens of mW over a wide range of operating conditions: compute-intensive but strongly quantized Deep Neural Network (DNN) inference, as well as signal processing and control requiring high-precision floating-point. We present Marsellus, an all-digital heterogeneous SoC for AI-IoT end-nodes fabricated in GlobalFoundries 22nm FDX that combines 1) a general-purpose cluster of 16 RISC-V Digital Signal Processing (DSP) cores attuned for the execution of a diverse range of workloads exploiting 4-bit and 2-bit arithmetic extensions (XpulpNN), combined with fused MAC&LOAD operations and floating-point support; 2) a 2-8bit Reconfigurable Binary Engine (RBE) to accelerate 3x3 and 1x1 (pointwise) convolutions in DNNs; 3) a set of On-Chip Monitoring (OCM) blocks connected to an Adaptive Body Biasing (ABB) generator and a hardware control loop, enabling on-the-fly adaptation of transistor threshold voltages. Marsellus achieves up to 180 Gop/s or 3.32 Top/s/W on 2-bit precision arithmetic in software, and up to 637 Gop/s or 12.4 Top/s/W on hardware-accelerated DNN layers.

Domain generalization (DG) aims to learn a generalizable model from multiple training domains such that it can perform well on unseen target domains. A popular strategy is to augment training data to benefit generalization through methods such as Mixup~\cite{zhang2018mixup}. While the vanilla Mixup can be directly applied, theoretical and empirical investigations uncover several shortcomings that limit its performance. Firstly, Mixup cannot effectively identify the domain and class information that can be used for learning invariant representations. Secondly, Mixup may introduce synthetic noisy data points via random interpolation, which lowers its discrimination capability. Based on the analysis, we propose a simple yet effective enhancement for Mixup-based DG, namely domain-invariant Feature mIXup (FIX). It learns domain-invariant representations for Mixup. To further enhance discrimination, we leverage existing techniques to enlarge margins among classes to further propose the domain-invariant Feature MIXup with Enhanced Discrimination (FIXED) approach. We present theoretical insights about guarantees on its effectiveness. Extensive experiments on seven public datasets across two modalities including image classification (Digits-DG, PACS, Office-Home) and time series (DSADS, PAMAP2, UCI-HAR, and USC-HAD) demonstrate that our approach significantly outperforms nine state-of-the-art related methods, beating the best performing baseline by 6.5\% on average in terms of test accuracy. Code is available at: https://github.com/jindongwang/transferlearning/tree/master/code/deep/fixed.

Traditionally, social choice theory has only been applicable to choices among a few predetermined alternatives but not to more complex decisions such as collectively selecting a textual statement. We introduce generative social choice, a framework that combines the mathematical rigor of social choice theory with the capability of large language models to generate text and extrapolate preferences. This framework divides the design of AI-augmented democratic processes into two components: first, proving that the process satisfies rigorous representation guarantees when given access to oracle queries; second, empirically validating that these queries can be approximately implemented using a large language model. We apply this framework to the problem of generating a slate of statements that is representative of opinions expressed as free-form text; specifically, we develop a democratic process with representation guarantees and use this process to represent the opinions of participants in a survey about chatbot personalization. We find that 93 out of 100 participants feel "mostly" or "perfectly" represented by the slate of five statements we extracted.

Data-driven decision making plays an important role even in high stakes settings like medicine and public policy. Learning optimal policies from observed data requires a careful formulation of the utility function whose expected value is maximized across a population. Although researchers typically use utilities that depend on observed outcomes alone, in many settings the decision maker's utility function is more properly characterized by the joint set of potential outcomes under all actions. For example, the Hippocratic principle to "do no harm" implies that the cost of causing death to a patient who would otherwise survive without treatment is greater than the cost of forgoing life-saving treatment. We consider optimal policy learning with asymmetric counterfactual utility functions of this form that consider the joint set of potential outcomes. We show that asymmetric counterfactual utilities lead to an unidentifiable expected utility function, and so we first partially identify it. Drawing on statistical decision theory, we then derive minimax decision rules by minimizing the maximum expected utility loss relative to different alternative policies. We show that one can learn minimax loss decision rules from observed data by solving intermediate classification problems, and establish that the finite sample excess expected utility loss of this procedure is bounded by the regret of these intermediate classifiers. We apply this conceptual framework and methodology to the decision about whether or not to use right heart catheterization for patients with possible pulmonary hypertension.

The success of deep learning models deployed in the real world depends critically on their ability to generalize well across diverse data domains. Here, we address a fundamental challenge with selective classification during automated diagnosis with domain-shifted medical images. In this scenario, models must learn to avoid making predictions when label confidence is low, especially when tested with samples far removed from the training set (covariate shift). Such uncertain cases are typically referred to the clinician for further analysis and evaluation. Yet, we show that even state-of-the-art domain generalization approaches fail severely during referral when tested on medical images acquired from a different demographic or using a different technology. We examine two benchmark diagnostic medical imaging datasets exhibiting strong covariate shifts: i) diabetic retinopathy prediction with retinal fundus images and ii) multilabel disease prediction with chest X-ray images. We show that predictive uncertainty estimates do not generalize well under covariate shifts leading to non-monotonic referral curves, and severe drops in performance (up to 50%) at high referral rates (>70%). We evaluate novel combinations of robust generalization and post hoc referral approaches, that rescue these failures and achieve significant performance improvements, typically >10%, over baseline methods. Our study identifies a critical challenge with referral in domain-shifted medical images and finds key applications in reliable, automated disease diagnosis.  ( 2 min )

Discovering mutations enhancing protein-protein interactions (PPIs) is critical for advancing biomedical research and developing improved therapeutics. While machine learning approaches have substantially advanced the field, they often struggle to generalize beyond training data in practical scenarios. The contributions of this work are three-fold. First, we construct PPIRef, the largest and non-redundant dataset of 3D protein-protein interactions, enabling effective large-scale learning. Second, we leverage the PPIRef dataset to pre-train PPIformer, a new SE(3)-equivariant model generalizing across diverse protein-binder variants. We fine-tune PPIformer to predict effects of mutations on protein-protein interactions via a thermodynamically motivated adjustment of the pre-training loss function. Finally, we demonstrate the enhanced generalization of our new PPIformer approach by outperforming other state-of-the-art methods on new, non-leaking splits of standard labeled PPI mutational data and independent case studies optimizing a human antibody against SARS-CoV-2 and increasing the thrombolytic activity of staphylokinase.  ( 2 min )

In climate simulations, small-scale processes shape ocean dynamics but remain computationally expensive to resolve directly. For this reason, their contributions are commonly approximated using empirical parameterizations, which lead to significant errors in long-term projections. In this work, we develop parameterizations based on Fourier Neural Operators, showcasing their accuracy and generalizability in comparison to other approaches. Finally, we discuss the potential and limitations of neural networks operating in the frequency domain, paving the way for future investigation.  ( 2 min )

Out-of-distribution (OOD) detection methods often exploit auxiliary outliers to train model identifying OOD samples, especially discovering challenging outliers from auxiliary outliers dataset to improve OOD detection. However, they may still face limitations in effectively distinguishing between the most challenging OOD samples that are much like in-distribution (ID) data, i.e., ID-like samples. To this end, we propose a novel OOD detection framework that discovers ID-like outliers using CLIP from the vicinity space of the ID samples, thus helping to identify these most challenging OOD samples. Then a prompt learning framework is proposed that utilizes the identified ID-like outliers to further leverage the capabilities of CLIP for OOD detection. Benefiting from the powerful CLIP, we only need a small number of ID samples to learn the prompts of the model without exposing other auxiliary outlier datasets. By focusing on the most challenging ID-like OOD samples and elegantly exploiting the capabilities of CLIP, our method achieves superior few-shot learning performance on various real-world image datasets (e.g., in 4-shot OOD detection on the ImageNet-1k dataset, our method reduces the average FPR95 by 12.16% and improves the average AUROC by 2.76%, compared to state-of-the-art methods).  ( 2 min )

In here, we introduce a novel approach to enhance the accuracy and efficiency of COVID-19 diagnosis using CT images. Leveraging state-of-the-art Transformer models in computer vision, we employed the base ViT Transformer configured for 224x224-sized input images, modifying the output to suit the binary classification task. Notably, input images were resized from the standard CT scan size of 512x512 to match the model's expectations. Our method implements a systematic patient-level prediction strategy, classifying individual CT slices as COVID-19 or non-COVID. To determine the overall diagnosis for each patient, a majority voting approach as well as other thresholding approaches were employed. This method involves evaluating all CT slices for a given patient and assigning the patient the diagnosis that relates to the thresholding for the CT scan. This meticulous patient-level prediction process contributes to the robustness of our solution as it starts from 2D-slices to 3D-patient level. Throughout the evaluation process, our approach resulted in 0.7 macro F1 score on the COV19-CT -DB validation set. To ensure the reliability and effectiveness of our model, we rigorously validate it on the extensive COV-19 CT dataset, which is meticulously annotated for the task. This dataset, with its comprehensive annotations, reinforces the overall robustness of our solution.  ( 3 min )

Large language models (LLMs) released for public use incorporate guardrails to ensure their output is safe, often referred to as "model alignment." An aligned language model should decline a user's request to produce harmful content. However, such safety measures are vulnerable to adversarial attacks, which add maliciously designed token sequences to a harmful prompt to bypass the model's safety guards. In this work, we introduce erase-and-check, the first framework to defend against adversarial prompts with verifiable safety guarantees. We defend against three attack modes: i) adversarial suffix, which appends an adversarial sequence at the end of the prompt; ii) adversarial insertion, where the adversarial sequence is inserted anywhere in the middle of the prompt; and iii) adversarial infusion, where adversarial tokens are inserted at arbitrary positions in the prompt, not necessarily as a contiguous block. Our experimental results demonstrate that this procedure can obtain strong certified safety guarantees on harmful prompts while maintaining good empirical performance on safe prompts. For example, against adversarial suffixes of length 20, it certifiably detects 92% of harmful prompts and labels 94% of safe prompts correctly using the open-source language model Llama 2 as the safety filter. We further improve the filter's performance, in terms of accuracy and speed, by replacing Llama 2 with a DistilBERT safety classifier fine-tuned on safe and harmful prompts. Additionally, we propose two efficient empirical defenses: i) RandEC, a randomized version of erase-and-check that evaluates the safety filter on a small subset of the erased subsequences, and ii) GradEC, a gradient-based version that optimizes the erased tokens to remove the adversarial sequence. The code for our experiments is available at https://github.com/aounon/certified-llm-safety.

Unconditional scene inference and generation are challenging to learn jointly with a single compositional model. Despite encouraging progress on models that extract object-centric representations (''slots'') from images, unconditional generation of scenes from slots has received less attention. This is primarily because learning the multi-object relations necessary to imagine coherent scenes is difficult. We hypothesize that most existing slot-based models have a limited ability to learn object correlations. We propose two improvements that strengthen object correlation learning. The first is to condition the slots on a global, scene-level variable that captures higher-order correlations between slots. Second, we address the fundamental lack of a canonical order for objects in images by proposing to learn a consistent order to use for the autoregressive generation of scene objects. Specifically, we train an autoregressive slot prior to sequentially generate scene objects following a learned order. Ordered slot inference entails first estimating a randomly ordered set of slots using existing approaches for extracting slots from images, then aligning those slots to ordered slots generated autoregressively with the slot prior. Our experiments across three multi-object environments demonstrate clear gains in unconditional scene generation quality. Detailed ablation studies are also provided that validate the two proposed improvements.

Computing Continuum (CC) systems are challenged to ensure the intricate requirements of each computational tier. Given the system's scale, the Service Level Objectives (SLOs) which are expressed as these requirements, must be broken down into smaller parts that can be decentralized. We present our framework for collaborative edge intelligence enabling individual edge devices to (1) develop a causal understanding of how to enforce their SLOs, and (2) transfer knowledge to speed up the onboarding of heterogeneous devices. Through collaboration, they (3) increase the scope of SLO fulfillment. We implemented the framework and evaluated a use case in which a CC system is responsible for ensuring Quality of Service (QoS) and Quality of Experience (QoE) during video streaming. Our results showed that edge devices required only ten training rounds to ensure four SLOs; furthermore, the underlying causal structures were also rationally explainable. The addition of new types of devices can be done a posteriori, the framework allowed them to reuse existing models, even though the device type had been unknown. Finally, rebalancing the load within a device cluster allowed individual edge devices to recover their SLO compliance after a network failure from 22% to 89%.

Anomaly detection significantly enhances the robustness of cloud systems. While neural network-based methods have recently demonstrated strong advantages, they encounter practical challenges in cloud environments: the contradiction between the impracticality of maintaining a unique model for each service and the limited ability of dealing with diverse normal patterns by a unified model, as well as issues with handling heavy traffic in real time and short-term anomaly detection sensitivity. Thus, we propose MACE, a Multi-pattern Accommodated and efficient Anomaly detection method in the frequency domain for time series anomaly detection. There are three novel characteristics of it: (i) a pattern extraction mechanism excelling at handling diverse normal patterns, which enables the model to identify anomalies by examining the correlation between the data sample and its service normal pattern, instead of solely focusing on the data sample itself; (ii) a dualistic convolution mechanism that amplifies short-term anomalies in the time domain and hinders the reconstruction of anomalies in the frequency domain, which enlarges the reconstruction error disparity between anomaly and normality and facilitates anomaly detection; (iii) leveraging the sparsity and parallelism of frequency domain to enhance model efficiency. We theoretically and experimentally prove that using a strategically selected subset of Fourier bases can not only reduce computational overhead but is also profit to distinguish anomalies, compared to using the complete spectrum. Moreover, extensive experiments demonstrate MACE's effectiveness in handling diverse normal patterns with a unified model and it achieves state-of-the-art performance with high efficiency. \end{abstract}

With the advancement of mobile technology, Point of Interest (POI) recommendation systems in Location-based Social Networks (LBSN) have brought numerous benefits to both users and companies. Many existing works employ Knowledge Graph (KG) to alleviate the data sparsity issue in LBSN. These approaches primarily focus on modeling the pair-wise relations in LBSN to enrich the semantics and thereby relieve the data sparsity issue. However, existing approaches seldom consider the hyper-relations in LBSN, such as the mobility relation (a 3-ary relation: user-POI-time). This makes the model hard to exploit the semantics accurately. In addition, prior works overlook the rich structural information inherent in KG, which consists of higher-order relations and can further alleviate the impact of data sparsity.To this end, we propose a Hyper-Relational Knowledge Graph Neural Network (HKGNN) model. In HKGNN, a Hyper-Relational Knowledge Graph (HKG) that models the LBSN data is constructed to maintain and exploit the rich semantics of hyper-relations. Then we proposed a Hypergraph Neural Network to utilize the structural information of HKG in a cohesive way. In addition, a self-attention network is used to leverage sequential information and make personalized recommendations. Furthermore, side information, essential in reducing data sparsity by providing background knowledge of POIs, is not fully utilized in current methods. In light of this, we extended the current dataset with available side information to further lessen the impact of data sparsity. Results of experiments on four real-world LBSN datasets demonstrate the effectiveness of our approach compared to existing state-of-the-art methods.

The package mvlearnR and accompanying Shiny App is intended for integrating data from multiple sources or views or modalities (e.g. genomics, proteomics, clinical and demographic data). Most existing software packages for multiview learning are decentralized and offer limited capabilities, making it difficult for users to perform comprehensive integrative analysis. The new package wraps statistical and machine learning methods and graphical tools, providing a convenient and easy data integration workflow. For users with limited programming language, we provide a Shiny Application to facilitate data integration anywhere and on any device. The methods have potential to offer deeper insights into complex disease mechanisms. Availability and Implementation: mvlearnR is available from the following GitHub repository: https://github.com/lasandrall/mvlearnR. The web application is hosted on shinyapps.io and available at: https://multi-viewlearn.shinyapps.io/MultiView_Modeling/

We introduce PyTorch Geometric High Order (PyGHO), a library for High Order Graph Neural Networks (HOGNNs) that extends PyTorch Geometric (PyG). Unlike ordinary Message Passing Neural Networks (MPNNs) that exchange messages between nodes, HOGNNs, encompassing subgraph GNNs and k-WL GNNs, encode node tuples, a method previously lacking a standardized framework and often requiring complex coding. PyGHO's main objective is to provide an unified and user-friendly interface for various HOGNNs. It accomplishes this through streamlined data structures for node tuples, comprehensive data processing utilities, and a flexible suite of operators for high-order GNN methodologies. In this work, we present a detailed in-depth of PyGHO and compare HOGNNs implemented with PyGHO with their official implementation on real-world tasks. PyGHO achieves up to $50\%$ acceleration and reduces the code needed for implementation by an order of magnitude. Our library is available at \url{https://github.com/GraphPKU/PygHO}.

Neural networks' expressiveness comes at the cost of complex, black-box models that often extrapolate poorly beyond the domain of the training dataset, conflicting with the goal of finding compact analytic expressions to describe scientific data. We introduce OccamNet, a neural network model that finds interpretable, compact, and sparse symbolic fits to data, \`a la Occam's razor. Our model defines a probability distribution over functions with efficient sampling and function evaluation. We train by sampling functions and biasing the probability mass toward better fitting solutions, backpropagating using cross-entropy matching in a reinforcement-learning loss. OccamNet can identify symbolic fits for a variety of problems, including analytic and non-analytic functions, implicit functions, and simple image classification, and can outperform state-of-the-art symbolic regression methods on real-world regression datasets. Our method requires a minimal memory footprint, fits complicated functions in minutes on a single CPU, and scales on a GPU.

Wasserstein distributionally robust optimization has recently emerged as a powerful framework for robust estimation, enjoying good out-of-sample performance guarantees, well-understood regularization effects, and computationally tractable reformulations. In such framework, the estimator is obtained by minimizing the worst-case expected loss over all probability distributions which are close, in a Wasserstein sense, to the empirical distribution. In this paper, we propose a Wasserstein distributionally robust estimation framework to estimate an unknown parameter from noisy linear measurements, and we focus on the task of analyzing the squared error performance of such estimators. Our study is carried out in the modern high-dimensional proportional regime, where both the ambient dimension and the number of samples go to infinity at a proportional rate which encodes the under/over-parametrization of the problem. Under an isotropic Gaussian features assumption, we show that the squared error can be recovered as the solution of a convex-concave optimization problem which, surprinsingly, involves at most four scalar variables. Importantly, the precise quantification of the squared error allows to accurately and efficiently compare different ambiguity radii and to understand the effect of the under/over-parametrization on the estimation error. We conclude the paper with a list of exciting research directions enabled by our results.

Digital Elevation Model (DEM) is an essential aspect in the remote sensing domain to analyze and explore different applications related to surface elevation information. In this study, we intend to address the generation of high-resolution DEMs using high-resolution multi-spectral (MX) satellite imagery by incorporating adversarial learning. To promptly regulate this process, we utilize the notion of polarized self-attention of discriminator spatial maps as well as introduce a Densely connected Multi-Residual Block (DMRB) module to assist in efficient gradient flow. Further, we present an objective function related to optimizing Sinkhorn distance with traditional GAN to improve the stability of adversarial learning. In this regard, we provide both theoretical and empirical substantiation of better performance in terms of vanishing gradient issues and numerical convergence. We demonstrate both qualitative and quantitative outcomes with available state-of-the-art methods. Based on our experiments on DEM datasets of Shuttle Radar Topographic Mission (SRTM) and Cartosat-1, we show that the proposed model performs preferably against other learning-based state-of-the-art methods. We also generate and visualize several high-resolution DEMs covering terrains with diverse signatures to show the performance of our model.

Continual learning (CL) aims to acquire new knowledge while preserving information from previous experiences without forgetting. Though buffer-based methods (i.e., retaining samples from previous tasks) have achieved acceptable performance, determining how to allocate the buffer remains a critical challenge. Most recent research focuses on refining these methods but often fails to sufficiently consider the varying influence of samples on the learning process, and frequently overlooks the complexity of the classes/concepts being learned. Generally, these methods do not directly take into account the contribution of individual classes. However, our investigation indicates that more challenging classes necessitate preserving a larger number of samples compared to less challenging ones. To address this issue, we propose a novel method and policy named 'Class-Adaptive Sampling Policy' (CASP), which dynamically allocates storage space within the buffer. By utilizing concepts of class contribution and difficulty, CASP adaptively manages buffer space, allowing certain classes to occupy a larger portion of the buffer while reducing storage for others. This approach significantly improves the efficiency of knowledge retention and utilization. CASP provides a versatile solution to boost the performance and efficiency of CL. It meets the demand for dynamic buffer allocation, accommodating the varying contributions of different classes and their learning complexities over time.

The performance of speaker verification (SV) models may drop dramatically in noisy environments. A speech enhancement (SE) module can be used as a front-end strategy. However, existing SE methods may fail to bring performance improvements to downstream SV systems due to artifacts in the predicted signals of SE models. To compensate for artifacts, we propose a generic denoising framework named LC4SV, which can serve as a pre-processor for various unknown downstream SV models. In LC4SV, we employ a learning-based interpolation agent to automatically generate the appropriate coefficients between the enhanced signal and its noisy input to improve SV performance in noisy environments. Our experimental results demonstrate that LC4SV consistently improves the performance of various unseen SV systems. To the best of our knowledge, this work is the first attempt to develop a learning-based interpolation scheme aiming at improving SV performance in noisy environments.

Spiking Neural Networks (SNNs) have been an attractive option for deployment on devices with limited computing resources and lower power consumption because of the event-driven computing characteristic. As such devices have limited computing and storage resources, pruning for SNNs has been widely focused recently. However, the binary and non-differentiable property of spike signals make pruning deep SNNs challenging, so existing methods require high time overhead to make pruning decisions. In this paper, inspired by critical brain hypothesis in neuroscience, we design a regeneration mechanism based on criticality to efficiently obtain the critical pruned networks. Firstly, we propose a low-cost metric for the criticality of pruning structures. Then we re-rank the pruned structures after pruning and regenerate those with higher criticality. We evaluate our method using VGG-16 and ResNet-19 for both unstructured pruning and structured pruning. Our method achieves higher performance compared to current state-of-the-art (SOTA) method with the same time overhead. We also achieve comparable performances (even better on VGG-16) compared to the SOTA method with 11.3x and 15.5x acceleration. Moreover, we investigate underlying mechanism of our method and find that it efficiently selects potential structures, learns the consistent feature representations and reduces the overfitting during the recovery phase.

In this paper, we formulate the outfit completion problem as a set retrieval task and propose a novel framework for solving this problem. The proposal includes a conditional set transformation architecture with deep neural networks and a compatibility-based regularization method. The proposed method utilizes a map with permutation-invariant for the input set and permutation-equivariant for the condition set. This allows retrieving a set that is compatible with the input set while reflecting the properties of the condition set. In addition, since this structure outputs the element of the output set in a single inference, it can achieve a scalable inference speed with respect to the cardinality of the output set. Experimental results on real data reveal that the proposed method outperforms existing approaches in terms of accuracy of the outfit completion task, condition satisfaction, and compatibility of completion results.

Video Anomaly Detection (VAD) is an open-set recognition task, which is usually formulated as a one-class classification (OCC) problem, where training data is comprised of videos with normal instances while test data contains both normal and anomalous instances. Recent works have investigated the creation of pseudo-anomalies (PAs) using only the normal data and making strong assumptions about real-world anomalies with regards to abnormality of objects and speed of motion to inject prior information about anomalies in an autoencoder (AE) based reconstruction model during training. This work proposes a novel method for generating generic spatio-temporal PAs by inpainting a masked out region of an image using a pre-trained Latent Diffusion Model and further perturbing the optical flow using mixup to emulate spatio-temporal distortions in the data. In addition, we present a simple unified framework to detect real-world anomalies under the OCC setting by learning three types of anomaly indicators, namely reconstruction quality, temporal irregularity and semantic inconsistency. Extensive experiments on four VAD benchmark datasets namely Ped2, Avenue, ShanghaiTech and UBnormal demonstrate that our method performs on par with other existing state-of-the-art PAs generation and reconstruction based methods under the OCC setting. Our analysis also examines the transferability and generalisation of PAs across these datasets, offering valuable insights by identifying real-world anomalies through PAs.

Deep Neural Networks (DNNs) became the standard tool for function approximation with most of the introduced architectures being developed for high-dimensional input data. However, many real-world problems have low-dimensional inputs for which standard Multi-Layer Perceptrons (MLPs) are the default choice. An investigation into specialized architectures is missing. We propose a novel DNN layer called Univariate Radial Basis Function (U-RBF) layer as an alternative. Similar to sensory neurons in the brain, the U-RBF layer processes each individual input dimension with a population of neurons whose activations depend on different preferred input values. We verify its effectiveness compared to MLPs in low-dimensional function regressions and reinforcement learning tasks. The results show that the U-RBF is especially advantageous when the target function becomes complex and difficult to approximate.

We present a simple deep learning-based framework commonly used in computer vision and demonstrate its effectiveness for cross-dataset transfer learning in mental imagery decoding tasks that are common in the field of Brain-Computer Interfaces (BCI). We investigate, on a large selection of 12 motor-imagery datasets, which ones are well suited for transfer, both as donors and as receivers. Challenges. Deep learning models typically require long training times and are data-hungry, which impedes their use for BCI systems that have to minimize the recording time for (training) examples and are subject to constraints induced by experiments involving human subjects. A solution to both issues is transfer learning, but it comes with its own challenge, i.e., substantial data distribution shifts between datasets, subjects and even between subsequent sessions of the same subject. Approach. For every pair of pre-training (donor) and test (receiver) dataset, we first train a model on the donor before training merely an additional new linear classification layer based on a few receiver trials. Performance of this transfer approach is then tested on other trials of the receiver dataset. Significance. First, we lower the threshold to use transfer learning between motor imagery datasets: the overall framework is extremely simple and nevertheless obtains decent classification scores. Second, we demonstrate that deep learning models are a good option for motor imagery cross-dataset transfer both for the reasons outlined in the first point and because the framework presented is viable in online scenarios. Finally, analysing which datasets are best suited for transfer learning can be used as a reference for future researchers to determine which to use for pre-training or benchmarking.

In this work, we propose an end-to-end adaptive sampling neural network (MMPDE-Net) based on the moving mesh PDE method, which can adaptively generate new coordinates of sampling points by solving the moving mesh PDE. This model focuses on improving the efficiency of individual sampling points. Moreover, we have developed an iterative algorithm based on MMPDE-Net, which makes the sampling points more precise and controllable. Since MMPDE-Net is a framework independent of the deep learning solver, we combine it with PINN to propose MS-PINN and demonstrate its effectiveness by performing error analysis under the assumptions given in this paper. Meanwhile, we demonstrate the performance improvement of MS-PINN compared to PINN through numerical experiments on four typical examples to verify the effectiveness of our method.

Decision-Focused Learning (DFL) is an emerging learning paradigm that tackles the task of training a machine learning (ML) model to predict missing parameters of an incomplete optimization problem, where the missing parameters are predicted. DFL trains an ML model in an end-to-end system, by integrating the prediction and optimization tasks, providing better alignment of the training and testing objectives. DFL has shown a lot of promise and holds the capacity to revolutionize decision-making in many real-world applications. However, very little is known about the performance of these models under adversarial attacks. We adopt ten unique DFL methods and benchmark their performance under two distinctly focused attacks adapted towards the Predict-then-Optimize problem setting. Our study proposes the hypothesis that the robustness of a model is highly correlated with its ability to find predictions that lead to optimal decisions without deviating from the ground-truth label. Furthermore, we provide insight into how to target the models that violate this condition and show how these models respond differently depending on the achieved optimality at the end of their training cycles.

Multi-label classification (MLC) refers to the problem of tagging a given instance with a set of relevant labels. Most existing MLC methods are based on the assumption that the correlation of two labels in each label pair is symmetric, which is violated in many real-world scenarios. Moreover, most existing methods design learning processes associated with the number of labels, which makes their computational complexity a bottleneck when scaling up to large-scale output space. To tackle these issues, we propose a novel MLC learning method named Scalable Label Distribution Learning (SLDL) for multi-label classification which can describe different labels as distributions in a latent space, where the label correlation is asymmetric and the dimension is independent of the number of labels. Specifically, SLDL first converts labels into continuous distributions within a low-dimensional latent space and leverages the asymmetric metric to establish the correlation between different labels. Then, it learns the mapping from the feature space to the latent space, resulting in the computational complexity is no longer related to the number of labels. Finally, SLDL leverages a nearest-neighbor-based strategy to decode the latent representations and obtain the final predictions. Our extensive experiments illustrate that SLDL can achieve very competitive classification performances with little computational consumption.

Dataset distillation offers a potential means to enhance data efficiency in deep learning. Recent studies have shown its ability to counteract backdoor risks present in original training samples. In this study, we delve into the theoretical aspects of backdoor attacks and dataset distillation based on kernel methods. We introduce two new theory-driven trigger pattern generation methods specialized for dataset distillation. Following a comprehensive set of analyses and experiments, we show that our optimization-based trigger design framework informs effective backdoor attacks on dataset distillation. Notably, datasets poisoned by our designed trigger prove resilient against conventional backdoor attack detection and mitigation methods. Our empirical results validate that the triggers developed using our approaches are proficient at executing resilient backdoor attacks.

Language has emerged as a natural interface for image editing. In this paper, we introduce a method for region-based image editing driven by textual prompts, without the need for user-provided masks or sketches. Specifically, our approach leverages an existing pretrained text-to-image model and introduces a bounding box generator to find the edit regions that are aligned with the textual prompts. We show that this simple approach enables flexible editing that is compatible with current image generation models, and is able to handle complex prompts featuring multiple objects, complex sentences or long paragraphs. We conduct an extensive user study to compare our method against state-of-the-art methods. Experiments demonstrate the competitive performance of our method in manipulating images with high fidelity and realism that align with the language descriptions provided. Our project webpage: https://yuanze-lin.me/LearnableRegions_page.

Flow matching as a paradigm of generative model achieves notable success across various domains. However, existing methods use either multi-round training or knowledge within minibatches, posing challenges in finding a favorable coupling strategy for straight trajectories. To address this issue, we propose a novel approach, Straighter trajectories of Flow Matching (StraightFM). It straightens trajectories with the coupling strategy guided by diffusion model from entire distribution level. First, we propose a coupling strategy to straighten trajectories, creating couplings between image and noise samples under diffusion model guidance. Second, StraightFM also integrates real data to enhance training, employing a neural network to parameterize another coupling process from images to noise samples. StraightFM is jointly optimized with couplings from above two mutually complementary directions, resulting in straighter trajectories and enabling both one-step and few-step generation. Extensive experiments demonstrate that StraightFM yields high quality samples with fewer step. StraightFM generates visually appealing images with a lower FID among diffusion and traditional flow matching methods within 5 sampling steps when trained on pixel space. In the latent space (i.e., Latent Diffusion), StraightFM achieves a lower KID value compared to existing methods on the CelebA-HQ 256 dataset in fewer than 10 sampling steps.

The lack of transparency and explainability hinders the clinical adoption of Machine learning (ML) algorithms. While explainable artificial intelligence (XAI) methods have been proposed, little research has focused on the agreement between these methods and expert clinical knowledge. This study applies current state-of-the-art explainability methods to clinical decision support algorithms developed for Electronic Medical Records (EMR) data to analyse the concordance between these factors and discusses causes for identified discrepancies from a clinical and technical perspective. Important factors for achieving trustworthy XAI solutions for clinical decision support are also discussed.

While data selection methods have been studied extensively in active learning, data pruning, and data augmentation settings, there is little evidence for the efficacy of these methods in industry scale settings, particularly in low-resource languages. Our work presents ways of assessing prospective training examples in those settings for their "usefulness" or "difficulty". We also demonstrate how these measures can be used in selecting important examples for training supervised machine learning models. We primarily experiment with entropy and Error L2-Norm (EL2N) scores. We use these metrics to curate high quality datasets from a large pool of \textit{Weak Signal Labeled} data, which assigns no-defect high confidence hypotheses during inference as ground truth labels. We then conduct training data augmentation experiments using these de-identified datasets and demonstrate that score-based selection can result in a 2% decrease in semantic error rate and 4%-7% decrease in domain classification error rate when compared to the baseline technique of random selection.

Out-of-distribution (OOD) detection is essential for the reliability of ML models. Most existing methods for OOD detection learn a fixed decision criterion from a given in-distribution dataset and apply it universally to decide if a data point is OOD. Recent work~\cite{fang2022is} shows that given only in-distribution data, it is impossible to reliably detect OOD data without extra assumptions. Motivated by the theoretical result and recent exploration of test-time adaptation methods, we propose a Non-Parametric Test Time \textbf{Ada}ptation framework for \textbf{O}ut-Of-\textbf{D}istribution \textbf{D}etection (\abbr). Unlike conventional methods, \abbr utilizes online test samples for model adaptation during testing, enhancing adaptability to changing data distributions. The framework incorporates detected OOD instances into decision-making, reducing false positive rates, particularly when ID and OOD distributions overlap significantly. We demonstrate the effectiveness of \abbr through comprehensive experiments on multiple OOD detection benchmarks, extensive empirical studies show that \abbr significantly improves the performance of OOD detection over state-of-the-art methods. Specifically, \abbr reduces the false positive rate (FPR95) by $23.23\%$ on the CIFAR-10 benchmarks and $38\%$ on the ImageNet-1k benchmarks compared to the advanced methods. Lastly, we theoretically verify the effectiveness of \abbr.

In this work, we address the challenge of multi-task image generation with limited data for denoising diffusion probabilistic models (DDPM), a class of generative models that produce high-quality images by reversing a noisy diffusion process. We propose a novel method, SR-DDPM, that leverages representation-based techniques from few-shot learning to effectively learn from fewer samples across different tasks. Our method consists of a core meta architecture with shared parameters, i.e., task-specific layers with exclusive parameters. By exploiting the similarity between diverse data distributions, our method can scale to multiple tasks without compromising the image quality. We evaluate our method on standard image datasets and show that it outperforms both unconditional and conditional DDPM in terms of FID and SSIM metrics.

Despite the recent advancements, conditional image generation still faces challenges of cost, generalizability, and the need for task-specific training. In this paper, we propose Manifold Preserving Guided Diffusion (MPGD), a training-free conditional generation framework that leverages pretrained diffusion models and off-the-shelf neural networks with minimal additional inference cost for a broad range of tasks. Specifically, we leverage the manifold hypothesis to refine the guided diffusion steps and introduce a shortcut algorithm in the process. We then propose two methods for on-manifold training-free guidance using pre-trained autoencoders and demonstrate that our shortcut inherently preserves the manifolds when applied to latent diffusion models. Our experiments show that MPGD is efficient and effective for solving a variety of conditional generation applications in low-compute settings, and can consistently offer up to 3.8x speed-ups with the same number of diffusion steps while maintaining high sample quality compared to the baselines.

This paper considers the unstructured sparse recovery problems in a general form. Examples include rational approximation, spectral function estimation, Fourier inversion, Laplace inversion, and sparse deconvolution. The main challenges are the noise in the sample values and the unstructured nature of the sample locations. This paper proposes the eigenmatrix, a data-driven construction with desired approximate eigenvalues and eigenvectors. The eigenmatrix offers a new way for these sparse recovery problems. Numerical results are provided to demonstrate the efficiency of the proposed method.

Diabetic Foot Ulcer (DFU) is a condition requiring constant monitoring and evaluations for treatment. DFU patient population is on the rise and will soon outpace the available health resources. Autonomous monitoring and evaluation of DFU wounds is a much-needed area in health care. In this paper, we evaluate and identify the most accurate feature extractor that is the core basis for developing a deep-learning wound detection network. For the evaluation, we used mAP and F1-score on the publicly available DFU2020 dataset. A combination of UNet and EfficientNetb3 feature extractor resulted in the best evaluation among the 14 networks compared. UNet and Efficientnetb3 can be used as the classifier in the development of a comprehensive DFU domain-specific autonomous wound detection pipeline.

In deep learning classifiers, the cost function usually takes the form of a combination of SoftMax and CrossEntropy functions. The SoftMax unit transforms the scores predicted by the model network into assessments of the degree (probabilities) of an object's membership to a given class. On the other hand, CrossEntropy measures the divergence of this prediction from the distribution of target scores. This work introduces the ISBE functionality, justifying the thesis about the redundancy of cross entropy computation in deep learning of classifiers. Not only can we omit the calculation of entropy, but also, during back-propagation, there is no need to direct the error to the normalization unit for its backward transformation. Instead, the error is sent directly to the model's network. Using examples of perceptron and convolutional networks as classifiers of images from the MNIST collection, it is observed for ISBE that results are not degraded with SoftMax only, but also with other activation functions such as Sigmoid, Tanh, or their hard variants HardSigmoid and HardTanh. Moreover, up to three percent of time is saved within the total time of forward and backward stages. The article is addressed mainly to programmers and students interested in deep model learning. For example, it illustrates in code snippets possible ways to implement ISBE units, but also formally proves that the softmax trick only applies to the class of softmax functions with relocations.

Ordinary differential equations (ODEs) can provide mechanistic models of temporally local changes of processes, where parameters are often informed by external knowledge. While ODEs are popular in systems modeling, they are less established for statistical modeling of longitudinal cohort data, e.g., in a clinical setting. Yet, modeling of local changes could also be attractive for assessing the trajectory of an individual in a cohort in the immediate future given its current status, where ODE parameters could be informed by further characteristics of the individual. However, several hurdles so far limit such use of ODEs, as compared to regression-based function fitting approaches. The potentially higher level of noise in cohort data might be detrimental to ODEs, as the shape of the ODE solution heavily depends on the initial value. In addition, larger numbers of variables multiply such problems and might be difficult to handle for ODEs. To address this, we propose to use each observation in the course of time as the initial value to obtain multiple local ODE solutions and build a combined estimator of the underlying dynamics. Neural networks are used for obtaining a low-dimensional latent space for dynamic modeling from a potentially large number of variables, and for obtaining patient-specific ODE parameters from baseline variables. Simultaneous identification of dynamic models and of a latent space is enabled by recently developed differentiable programming techniques. We illustrate the proposed approach in an application with spinal muscular atrophy patients and a corresponding simulation study. In particular, modeling of local changes in health status at any point in time is contrasted to the interpretation of functions obtained from a global regression. This more generally highlights how different application settings might demand different modeling strategies.

Panoramic radiography is a widely used imaging modality in dental practice and research. However, it only provides flattened 2D images, which limits the detailed assessment of dental structures. In this paper, we propose Occudent, a framework for 3D teeth reconstruction from panoramic radiographs using neural implicit functions, which, to the best of our knowledge, is the first work to do so. For a given point in 3D space, the implicit function estimates whether the point is occupied by a tooth, and thus implicitly determines the boundaries of 3D tooth shapes. Firstly, Occudent applies multi-label segmentation to the input panoramic radiograph. Next, tooth shape embeddings as well as tooth class embeddings are generated from the segmentation outputs, which are fed to the reconstruction network. A novel module called Conditional eXcitation (CX) is proposed in order to effectively incorporate the combined shape and class embeddings into the implicit function. The performance of Occudent is evaluated using both quantitative and qualitative measures. Importantly, Occudent is trained and validated with actual panoramic radiographs as input, distinct from recent works which used synthesized images. Experiments demonstrate the superiority of Occudent over state-of-the-art methods.

Accurate prediction of the Remaining Useful Life (RUL) of rolling bearings is crucial in industrial production, yet existing models often struggle with limited generalization capabilities due to their inability to fully process all vibration signal patterns. We introduce a novel multi-input autoregressive model to address this challenge in RUL prediction for bearings. Our approach uniquely integrates vibration signals with previously predicted Health Indicator (HI) values, employing feature fusion to output current window HI values. Through autoregressive iterations, the model attains a global receptive field, effectively overcoming the limitations in generalization. Furthermore, we innovatively incorporate a segmentation method and multiple training iterations to mitigate error accumulation in autoregressive models. Empirical evaluation on the PMH2012 dataset demonstrates that our model, compared to other backbone networks using similar autoregressive approaches, achieves significantly lower Root Mean Square Error (RMSE) and Score. Notably, it outperforms traditional autoregressive models that use label values as inputs and non-autoregressive networks, showing superior generalization abilities with a marked lead in RMSE and Score metrics.

Predicting the activities of compounds against protein-based or phenotypic assays using only a few known compounds and their activities is a common task in target-free drug discovery. Existing few-shot learning approaches are limited to predicting binary labels (active/inactive). However, in real-world drug discovery, degrees of compound activity are highly relevant. We study Few-Shot Compound Activity Prediction (FS-CAP) and design a novel neural architecture to meta-learn continuous compound activities across large bioactivity datasets. Our model aggregates encodings generated from the known compounds and their activities to capture assay information. We also introduce a separate encoder for the unknown compound. We show that FS-CAP surpasses traditional similarity-based techniques as well as other state of the art few-shot learning methods on a variety of target-free drug discovery settings and datasets.

The advancements in automatic text-to-3D generation have been remarkable. Most existing methods use pre-trained text-to-image diffusion models to optimize 3D representations like Neural Radiance Fields (NeRFs) via latent-space denoising score matching. Yet, these methods often result in artifacts and inconsistencies across different views due to their suboptimal optimization approaches and limited understanding of 3D geometry. Moreover, the inherent constraints of NeRFs in rendering crisp geometry and stable textures usually lead to a two-stage optimization to attain high-resolution details. This work proposes holistic sampling and smoothing approaches to achieve high-quality text-to-3D generation, all in a single-stage optimization. We compute denoising scores in the text-to-image diffusion model's latent and image spaces. Instead of randomly sampling timesteps (also referred to as noise levels in denoising score matching), we introduce a novel timestep annealing approach that progressively reduces the sampled timestep throughout optimization. To generate high-quality renderings in a single-stage optimization, we propose regularization for the variance of z-coordinates along NeRF rays. To address texture flickering issues in NeRFs, we introduce a kernel smoothing technique that refines importance sampling weights coarse-to-fine, ensuring accurate and thorough sampling in high-density regions. Extensive experiments demonstrate the superiority of our method over previous approaches, enabling the generation of highly detailed and view-consistent 3D assets through a single-stage training process.

When dealing with text data containing subjective labels like speaker emotions, inaccuracies or discrepancies among labelers are not uncommon. Such discrepancies can significantly affect the performance of machine learning algorithms. This study investigates the potential of identifying and addressing outliers in text data with subjective labels, aiming to enhance classification outcomes. We utilized the Deep SVDD algorithm, a one-class classification method, to detect outliers in nine text-based emotion and sentiment analysis datasets. By employing both a small-sized language model (DistilBERT base model with 66 million parameters) and non-deep learning machine learning algorithms (decision tree, KNN, Logistic Regression, and LDA) as the classifier, our findings suggest that the removal of outliers can lead to enhanced results in most cases. Additionally, as outliers in such datasets are not necessarily unlearnable, we experienced utilizing a large language model -- DeBERTa v3 large with 131 million parameters, which can capture very complex patterns in data. We continued to observe performance enhancements across multiple datasets.

Evolutionary machine learning (EML) has been applied to games in multiple ways, and for multiple different purposes. Importantly, AI research in games is not only about playing games; it is also about generating game content, modeling players, and many other applications. Many of these applications pose interesting problems for EML. We will structure this chapter on EML for games based on whether evolution is used to augment machine learning (ML) or ML is used to augment evolution. For completeness, we also briefly discuss the usage of ML and evolution separately in games.

Over the past decade, climate change has become an increasing problem with one of the major contributing factors being carbon dioxide (CO2) emissions; almost 51% of total US carbon emissions are from factories. Current materials used in CO2 capture are lacking either in efficiency, sustainability, or cost. Electrocatalysis of CO2 is a new approach where CO2 can be reduced and the components used industrially as fuel, saving transportation costs, creating financial incentives. Metal Organic Frameworks (MOFs) are crystals made of organo-metals that adsorb, filter, and electrocatalyze CO2. The current available MOFs for capture & electrocatalysis are expensive to manufacture and inefficient at capture. The goal therefore is to computationally design a MOF that can adsorb CO2 and catalyze carbon monoxide & oxygen with low cost. A novel active transfer learning neural network was developed, utilizing transfer learning due to limited available data on 15 MOFs. Using the Cambridge Structural Database with 10,000 MOFs, the model used incremental mutations to fit a trained fitness hyper-heuristic function. Eventually, a Selenium MOF (C18MgO25Se11Sn20Zn5) was converged on. Through analysis of predictions & literature, the converged MOF was shown to be more effective & more synthetically accessible than existing MOFs, showing the model had an understanding of effective electrocatalytic structures in the material space. This novel network can be implemented for other gas separations and catalysis applications that have limited training accessible datasets.

We introduce RACH-Space, a novel classification method in ensemble learning. In particular, we show its applicability as a label model for weakly supervised learning. RACH-Space offers simplicity in implementation with minimal assumptions on the data or weak signals. The model is well suited for scenarios where fully labeled data is not available. Our method is built upon geometrical interpretation of the space spanned by weak signals. Our analysis of the high dimensional convex hull structure underlying general set of weak signals bridges geometry with machine learning. Empirical results also demonstrate that RACH-Space works well in practice and compares favorably to best existing label models for weakly supervised learning.

We consider noisy signals which are defined on the vertices of a graph and present smoothing algorithms for the cases of Gaussian, dropout, and uniformly distributed noise. The signals are assumed to follow a prior distribution defined in the frequency domain which favors signals which are smooth across the edges of the graph. By pairing this prior distribution with our three models of noise generation, we propose \textit{Maximum A Posteriori} (M.A.P.) estimates of the true signal in the presence of noisy data and provide algorithms for computing the M.A.P. Finally, we demonstrate the algorithms' ability to effectively restore white noise on image data, and from severe dropout in toy \& EHR data.

Solving Hamilton-Jacobi-Isaacs (HJI) PDEs enables equilibrial feedback control in two-player differential games, yet faces the curse of dimensionality (CoD). While physics-informed machine learning has been adopted to address CoD in solving PDEs, this method falls short in learning discontinuous solutions due to its sampling nature, leading to poor safety performance of the resulting controllers in robotics applications where values are discontinuous due to state or other temporal logic constraints. In this study, we explore three potential solutions to this problem: (1) a hybrid learning method that uses both equilibrium demonstrations and the HJI PDE, (2) a value-hardening method where a sequence of HJIs are solved with increasing Lipschitz constant on the constraint violation penalty, and (3) the epigraphical technique that lifts the value to a higher dimensional auxiliary state space where the value becomes continuous. Evaluations through 5D and 9D vehicle simulations and 13D drone simulations reveal that the hybrid method outperforms others in terms of generalization and safety performance.

The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in reshaping interactions with complex molecular data. Our novel contribution, InstructMol, a multi-modal LLM, effectively aligns molecular structures with natural language via an instruction-tuning approach, utilizing a two-stage training strategy that adeptly combines limited domain-specific data with molecular and textual information. InstructMol showcases substantial performance improvements in drug discovery-related molecular tasks, surpassing leading LLMs and significantly reducing the gap with specialized models, thereby establishing a robust foundation for a versatile and dependable drug discovery assistant.

Stress-strain curves, or more generally, stress functions, are an extremely important characterization of a material's mechanical properties. However, stress functions are often difficult to derive and are narrowly tailored to a specific material. Further, large deformations, high strain-rates, temperature sensitivity, and effect of material parameters compound modeling challenges. We propose a generalized deep neural network approach to model stress as a state function with quantile regression to capture uncertainty. We extend these models to uniaxial impact mechanics using stochastic differential equations to demonstrate a use case and provide a framework for implementing this uncertainty-aware stress function. We provide experiments benchmarking our approach against leading constitutive, machine learning, and transfer learning approaches to stress and impact mechanics modeling on publicly available and newly presented data sets. We also provide a framework to optimize material parameters given multiple competing impact scenarios.

Spurious correlations in the data, where multiple cues are predictive of the target labels, often lead to a phenomenon known as simplicity bias, where a model relies on erroneous, easy-to-learn cues while ignoring reliable ones. In this work, we propose an ensemble diversification framework exploiting Diffusion Probabilistic Models (DPMs) for shortcut bias mitigation. We show that at particular training intervals, DPMs can generate images with novel feature combinations, even when trained on images displaying correlated input features. We leverage this crucial property to generate synthetic counterfactuals to increase model diversity via ensemble disagreement. We show that DPM-guided diversification is sufficient to remove dependence on primary shortcut cues, without a need for additional supervised signals. We further empirically quantify its efficacy on several diversification objectives, and finally show improved generalization and diversification performance on par with prior work that relies on auxiliary data collection.

We reinvigorate maximum likelihood estimation (MLE) for macroeconomic density forecasting through a novel neural network architecture with dedicated mean and variance hemispheres. Our architecture features several key ingredients making MLE work in this context. First, the hemispheres share a common core at the entrance of the network which accommodates for various forms of time variation in the error variance. Second, we introduce a volatility emphasis constraint that breaks mean/variance indeterminacy in this class of overparametrized nonlinear models. Third, we conduct a blocked out-of-bag reality check to curb overfitting in both conditional moments. Fourth, the algorithm utilizes standard deep learning software and thus handles large data sets - both computationally and statistically. Ergo, our Hemisphere Neural Network (HNN) provides proactive volatility forecasts based on leading indicators when it can, and reactive volatility based on the magnitude of previous prediction errors when it must. We evaluate point and density forecasts with an extensive out-of-sample experiment and benchmark against a suite of models ranging from classics to more modern machine learning-based offerings. In all cases, HNN fares well by consistently providing accurate mean/variance forecasts for all targets and horizons. Studying the resulting volatility paths reveals its versatility, while probabilistic forecasting evaluation metrics showcase its enviable reliability. Finally, we also demonstrate how this machinery can be merged with other structured deep learning models by revisiting Goulet Coulombe (2022)'s Neural Phillips Curve.

We consider a contextual bandit problem with $S$ contexts and $K$ actions. In each round $t=1,2,\dots$, the learner observes a random context and chooses an action based on its past experience. The learner then observes a random reward whose mean is a function of the context and the action for the round. Under the assumption that the contexts can be lumped into $r\le \min\{S,K\}$ groups such that the mean reward for the various actions is the same for any two contexts that are in the same group, we give an algorithm that outputs an $\epsilon$-optimal policy after using at most $\widetilde O(r (S +K )/\epsilon^2)$ samples with high probability and provide a matching $\Omega(r(S+K)/\epsilon^2)$ lower bound. In the regret minimization setting, we give an algorithm whose cumulative regret up to time $T$ is bounded by $\widetilde O(\sqrt{r^3(S+K)T})$. To the best of our knowledge, we are the first to show the near-optimal sample complexity in the PAC setting and $\widetilde O(\sqrt{{poly}(r)(S+K)T})$ minimax regret in the online setting for this problem. We also show our algorithms can be applied to more general low-rank bandits and get improved regret bounds in some scenarios.

The binding between proteins and ligands plays a crucial role in the realm of drug discovery. Previous deep learning approaches have shown promising results over traditional computationally intensive methods, but resulting in poor generalization due to limited supervised data. In this paper, we propose to learn protein-ligand binding representation in a self-supervised learning manner. Different from existing pre-training approaches which treat proteins and ligands individually, we emphasize to discern the intricate binding patterns from fine-grained interactions. Specifically, this self-supervised learning problem is formulated as a prediction of the conclusive binding complex structure given a pocket and ligand with a Transformer based interaction module, which naturally emulates the binding process. To ensure the representation of rich binding information, we introduce two pre-training tasks, i.e.~atomic pairwise distance map prediction and mask ligand reconstruction, which comprehensively model the fine-grained interactions from both structure and feature space. Extensive experiments have demonstrated the superiority of our method across various binding tasks, including protein-ligand affinity prediction, virtual screening and protein-ligand docking.

This paper presents an integrated algorithmic framework for minimising product delivery costs in e-commerce (known as the cost-to-serve or C2S). One of the major challenges in e-commerce is the large volume of spatio-temporally diverse orders from multiple customers, each of which has to be fulfilled from one of several warehouses using a fleet of vehicles. This results in two levels of decision-making: (i) selection of a fulfillment node for each order (including the option of deferral to a future time), and then (ii) routing of vehicles (each of which can carry multiple orders originating from the same warehouse). We propose an approach that combines graph neural networks and reinforcement learning to train the node selection and vehicle routing agents. We include real-world constraints such as warehouse inventory capacity, vehicle characteristics such as travel times, service times, carrying capacity, and customer constraints including time windows for delivery. The complexity of this problem arises from the fact that outcomes (rewards) are driven both by the fulfillment node mapping as well as the routing algorithms, and are spatio-temporally distributed. Our experiments show that this algorithmic pipeline outperforms pure heuristic policies.

With the availability of powerful text-to-image diffusion models, recent works have explored the use of synthetic data to improve image classification performances. These works show that it can effectively augment or even replace real data. In this work, we investigate how synthetic data can benefit few-shot class-agnostic counting. This requires to generate images that correspond to a given input number of objects. However, text-to-image models struggle to grasp the notion of count. We propose to rely on a double conditioning of Stable Diffusion with both a prompt and a density map in order to augment a training dataset for few-shot counting. Due to the small dataset size, the fine-tuned model tends to generate images close to the training images. We propose to enhance the diversity of synthesized images by exchanging captions between images thus creating unseen configurations of object types and spatial layout. Our experiments show that our diversified generation strategy significantly improves the counting accuracy of two recent and performing few-shot counting models on FSC147 and CARPK.

Therapeutic antibodies are an essential and rapidly expanding drug modality. The binding specificity between antibodies and antigens is decided by complementarity-determining regions (CDRs) at the tips of these Y-shaped proteins. In this paper, we propose a hierarchical training paradigm (HTP) for the antibody sequence-structure co-design. HTP consists of four levels of training stages, each corresponding to a specific protein modality within a particular protein domain. Through carefully crafted tasks in different stages, HTP seamlessly and effectively integrates geometric graph neural networks (GNNs) with large-scale protein language models to excavate evolutionary information from not only geometric structures but also vast antibody and non-antibody sequence databases, which determines ligand binding pose and strength. Empirical experiments show that HTP sets the new state-of-the-art performance in the co-design problem as well as the fix-backbone design. Our research offers a hopeful path to unleash the potential of deep generative architectures and seeks to illuminate the way forward for the antibody sequence and structure co-design challenge.

Graph Neural Networks (GNNs) have increasingly become an indispensable tool in learning from graph-structured data, catering to various applications including social network analysis, recommendation systems, etc. At the heart of these networks are the edges which are crucial in guiding GNN models' predictions. In many scenarios, these edges represent sensitive information, such as personal associations or financial dealings -- thus requiring privacy assurance. However, their contributions to GNN model predictions may in turn be exploited by the adversary to compromise their privacy. Motivated by these conflicting requirements, this paper investigates edge privacy in contexts where adversaries possess black-box GNN model access, restricted further by access controls, preventing direct insights into arbitrary node outputs. In this context, we introduce a series of privacy attacks grounded on the message-passing mechanism of GNNs. These strategies allow adversaries to deduce connections between two nodes not by directly analyzing the model's output for these pairs but by analyzing the output for nodes linked to them. Our evaluation with seven real-life datasets and four GNN architectures underlines a significant vulnerability: even in systems fortified with access control mechanisms, an adaptive adversary can decipher private connections between nodes, thereby revealing potentially sensitive relationships and compromising the confidentiality of the graph.

Robust segmentation is critical for deriving quantitative measures from large-scale, multi-center, and longitudinal medical scans. Manually annotating medical scans, however, is expensive and labor-intensive and may not always be available in every domain. Unsupervised domain adaptation (UDA) is a well-studied technique that alleviates this label-scarcity problem by leveraging available labels from another domain. In this study, we introduce Masked Autoencoding and Pseudo-Labeling Segmentation (MAPSeg), a $\textbf{unified}$ UDA framework with great versatility and superior performance for heterogeneous and volumetric medical image segmentation. To the best of our knowledge, this is the first study that systematically reviews and develops a framework to tackle four different domain shifts in medical image segmentation. More importantly, MAPSeg is the first framework that can be applied to $\textbf{centralized}$, $\textbf{federated}$, and $\textbf{test-time}$ UDA while maintaining comparable performance. We compare MAPSeg with previous state-of-the-art methods on a private infant brain MRI dataset and a public cardiac CT-MRI dataset, and MAPSeg outperforms others by a large margin (10.5 Dice improvement on the private MRI dataset and 5.7 on the public CT-MRI dataset). MAPSeg poses great practical value and can be applied to real-world problems. Our code and pretrained model will be available later.

In this study, we explore the application of Topological Data Analysis (TDA) and Lipschitz-Killing Curvatures (LKCs) as powerful tools for feature extraction and classification in the context of biomedical multiomics problems. TDA allows us to capture topological features and patterns within complex datasets, while LKCs provide essential geometric insights. We investigate the potential of combining both methods to improve classification accuracy. Using a dataset of biomedical images, we demonstrate that TDA and LKCs can effectively extract topological and geometrical features, respectively. The combination of these features results in enhanced classification performance compared to using each method individually. This approach offers promising results and has the potential to advance our understanding of complex biological processes in various biomedical applications. Our findings highlight the value of integrating topological and geometrical information in biomedical data analysis. As we continue to delve into the intricacies of multiomics problems, the fusion of these insights holds great promise for unraveling the underlying biological complexities.

Vicious assaults, malware, and various ransomware pose a cybersecurity threat, causing considerable damage to computer structures, servers, and mobile and web apps across various industries and businesses. These safety concerns are important and must be addressed immediately. Ransomware detection and classification are critical for guaranteeing rapid reaction and prevention. This study uses the XGBoost classifier and Random Forest (RF) algorithms to detect and classify ransomware attacks. This approach involves analyzing the behaviour of ransomware and extracting relevant features that can help distinguish between different ransomware families. The models are evaluated on a dataset of ransomware attacks and demonstrate their effectiveness in accurately detecting and classifying ransomware. The results show that the XGBoost classifier, Random Forest Classifiers, can effectively detect and classify different ransomware attacks with high accuracy, thereby providing a valuable tool for enhancing cybersecurity.

Interstitial diffusion is a pivotal process that governs the phase stability and irradiation response of materials in non-equilibrium conditions. In this work, we study sluggish and chemically-biased interstitial diffusion in Fe-Ni concentrated solid solution alloys (CSAs) by combining machine learning (ML) and kinetic Monte Carlo (kMC), where ML is used to accurately and efficiently predict the migration energy barriers on-the-fly. The ML-kMC reproduces the diffusivity that was reported by molecular dynamics results at high temperatures. With this powerful tool, we find that the observed sluggish diffusion and the "Ni-Ni-Ni"-biased diffusion in Fe-Ni alloys are ascribed to a unique "Barrier Lock" mechanism, whereas the "Fe-Fe-Fe"-biased diffusion is influenced by a "Component Dominance" mechanism. Inspired by the mentioned mechanisms, a practical AvgS-kMC method is proposed for conveniently and swiftly determining interstitial-mediated diffusivity by only relying on the mean energy barriers of migration patterns. Combining the AvgS-kMC with the differential evolutionary algorithm, an inverse design strategy for optimizing sluggish diffusion properties is applied to emphasize the crucial role of favorable migration patterns.

Deep neural networks are known to be vulnerable to small adversarial perturbations in test data. To defend against adversarial attacks, probabilistic classifiers have been proposed as an alternative to deterministic ones. However, literature has conflicting findings on the effectiveness of probabilistic classifiers in comparison to deterministic ones. In this paper, we clarify the role of randomization in building adversarially robust classifiers. Given a base hypothesis set of deterministic classifiers, we show the conditions under which a randomized ensemble outperforms the hypothesis set in adversarial risk, extending previous results. Additionally, we show that for any probabilistic binary classifier (including randomized ensembles), there exists a deterministic classifier that outperforms it. Finally, we give an explicit description of the deterministic hypothesis set that contains such a deterministic classifier for many types of commonly used probabilistic classifiers, i.e. randomized ensembles and parametric/input noise injection.

Several novel frameworks for hyperparameter search have emerged in the last decade, but most rely on strict, often normal, distributional assumptions, limiting search model flexibility. This paper proposes a novel optimization framework based on upper confidence bound sampling of conformal confidence intervals, whose weaker assumption of exchangeability enables greater choice of search model architectures. Several such architectures were explored and benchmarked on hyperparameter search of random forests and convolutional neural networks, displaying satisfactory interval coverage and superior tuning performance to random search.

Knowledge distillation(KD) has demonstrated remarkable success across various domains, but its application to medical imaging tasks, such as kidney and liver tumor segmentation, has encountered challenges. Many existing KD methods are not specifically tailored for these tasks. Moreover, prevalent KD methods often lack a careful consideration of what and from where to distill knowledge from the teacher to the student. This oversight may lead to issues like the accumulation of training bias within shallower student layers, potentially compromising the effectiveness of KD. To address these challenges, we propose Hierarchical Layer-selective Feedback Distillation (HLFD). HLFD strategically distills knowledge from a combination of middle layers to earlier layers and transfers final layer knowledge to intermediate layers at both the feature and pixel levels. This design allows the model to learn higher-quality representations from earlier layers, resulting in a robust and compact student model. Extensive quantitative evaluations reveal that HLFD outperforms existing methods by a significant margin. For example, in the kidney segmentation task, HLFD surpasses the student model (without KD) by over 10pp, significantly improving its focus on tumor-specific features. From a qualitative standpoint, the student model trained using HLFD excels at suppressing irrelevant information and can focus sharply on tumor-specific details, which opens a new pathway for more efficient and accurate diagnostic tools.

Exemplar-free class-incremental learning is very challenging due to the negative effect of catastrophic forgetting. A balance between stability and plasticity of the incremental process is needed in order to obtain good accuracy for past as well as new classes. Existing exemplar-free class-incremental methods focus either on successive fine tuning of the model, thus favoring plasticity, or on using a feature extractor fixed after the initial incremental state, thus favoring stability. We introduce a method which combines a fixed feature extractor and a pseudo-features generator to improve the stability-plasticity balance. The generator uses a simple yet effective geometric translation of new class features to create representations of past classes, made of pseudo-features. The translation of features only requires the storage of the centroid representations of past classes to produce their pseudo-features. Actual features of new classes and pseudo-features of past classes are fed into a linear classifier which is trained incrementally to discriminate between all classes. The incremental process is much faster with the proposed method compared to mainstream ones which update the entire deep model. Experiments are performed with three challenging datasets, and different incremental settings. A comparison with ten existing methods shows that our method outperforms the others in most cases.

Neural networks for NLP are becoming increasingly complex and widespread, and there is a growing concern if these models are responsible to use. Explaining models helps to address the safety and ethical concerns and is essential for accountability. Interpretability serves to provide these explanations in terms that are understandable to humans. Additionally, post-hoc methods provide explanations after a model is learned and are generally model-agnostic. This survey provides a categorization of how recent post-hoc interpretability methods communicate explanations to humans, it discusses each method in-depth, and how they are validated, as the latter is often a common concern.

Cryo-electron microscopy (cryo-EM) remains pivotal in structural biology, yet the task of protein particle picking, integral for 3D protein structure construction, is laden with manual inefficiencies. While recent AI tools such as Topaz and crYOLO are advancing the field, they do not fully address the challenges of cryo-EM images, including low contrast, complex shapes, and heterogeneous conformations. This study explored prompt-based learning to adapt the state-of-the-art image segmentation foundation model Segment Anything Model (SAM) for cryo-EM. This focus was driven by the desire to optimize model performance with a small number of labeled data without altering pre-trained parameters, aiming for a balance between adaptability and foundational knowledge retention. Through trials with three prompt-based learning strategies, namely head prompt, prefix prompt, and encoder prompt, we observed enhanced performance and reduced computational requirements compared to the fine-tuning approach. This work not only highlights the potential of prompting SAM in protein identification from cryo-EM micrographs but also suggests its broader promise in biomedical image segmentation and object detection.

Differential privacy is the state-of-the-art definition for privacy, guaranteeing that any analysis performed on a sensitive dataset leaks no information about the individuals whose data are contained therein. In this thesis, we develop differentially private algorithms to analyze distributed and streaming data. In the distributed model, we consider the particular problem of learning -- in a distributed fashion -- a global model of the data, that can subsequently be used for arbitrary analyses. We build upon PrivBayes, a differentially private method that approximates the high-dimensional distribution of a centralized dataset as a product of low-order distributions, utilizing a Bayesian Network model. We examine three novel approaches to learning a global Bayesian Network from distributed data, while offering the differential privacy guarantee to all local datasets. Our work includes a detailed theoretical analysis of the distributed, differentially private entropy estimator which we use in one of our algorithms, as well as a detailed experimental evaluation, using both synthetic and real-world data. In the streaming model, we focus on the problem of estimating the density of a stream of users, which expresses the fraction of all users that actually appear in the stream. We offer one of the strongest privacy guarantees for the streaming model, user-level pan-privacy, which ensures that the privacy of any user is protected, even against an adversary that observes the internal state of the algorithm. We provide a detailed analysis of an existing, sampling-based algorithm for the problem and propose two novel modifications that significantly improve it, both theoretically and experimentally, by optimally using all the allocated "privacy budget."  ( 3 min )

This paper introduces a novel contextual bandit algorithm for personalized pricing under utility fairness constraints in scenarios with uncertain demand, achieving an optimal regret upper bound. Our approach, which incorporates dynamic pricing and demand learning, addresses the critical challenge of fairness in pricing strategies. We first delve into the static full-information setting to formulate an optimal pricing policy as a constrained optimization problem. Here, we propose an approximation algorithm for efficiently and approximately computing the ideal policy. We also use mathematical analysis and computational studies to characterize the structures of optimal contextual pricing policies subject to fairness constraints, deriving simplified policies which lays the foundations of more in-depth research and extensions. Further, we extend our study to dynamic pricing problems with demand learning, establishing a non-standard regret lower bound that highlights the complexity added by fairness constraints. Our research offers a comprehensive analysis of the cost of fairness and its impact on the balance between utility and revenue maximization. This work represents a step towards integrating ethical considerations into algorithmic efficiency in data-driven dynamic pricing.

Drug combination refers to the use of two or more drugs to treat a specific disease at the same time. It is currently the mainstream way to treat complex diseases. Compared with single drugs, drug combinations have better efficacy and can better inhibit toxicity and drug resistance. The computational model based on deep learning concatenates the representation of multiple drugs and the corresponding cell line feature as input, and the output is whether the drug combination can have an inhibitory effect on the cell line. However, this strategy of concatenating multiple representations has the following defects: the alignment of drug representation and cell line representation is ignored, resulting in the synergistic relationship not being reflected positionally in the embedding space. Moreover, the alignment measurement function in deep learning cannot be suitable for drug synergy prediction tasks due to differences in input types. Therefore, in this work, we propose a graph convolutional network with multi-representation alignment (GCNMRA) for predicting drug synergy. In the GCNMRA model, we designed a multi-representation alignment function suitable for the drug synergy prediction task so that the positional relationship between drug representations and cell line representation is reflected in the embedding space. In addition, the vector modulus of drug representations and cell line representation is considered to improve the accuracy of calculation results and accelerate model convergence. Finally, many relevant experiments were run on multiple drug synergy datasets to verify the effectiveness of the above innovative elements and the excellence of the GCNMRA model.

As an important clean and renewable kind of energy, wind power plays an important role in coping with energy crisis and environmental pollution. However, the volatility and intermittency of wind speed restrict the development of wind power. To improve the utilization of wind power, this study proposes a new wind speed prediction model based on data noise reduction technology, temporal convolutional network (TCN), and gated recurrent unit (GRU). Firstly, an adaptive data noise reduction algorithm P-SSA is proposed based on singular spectrum analysis (SSA) and Pearson correlation coefficient. The original wind speed is decomposed into multiple subsequences by SSA and then reconstructed. When the Pearson correlation coefficient between the reconstructed sequence and the original sequence is greater than 0.99, other noise subsequences are deleted to complete the data denoising. Then, the receptive field of the samples is expanded through the causal convolution and dilated convolution of TCN, and the characteristics of wind speed change are extracted. Then, the time feature information of the sequence is extracted by GRU, and then the wind speed is predicted to form the wind speed sequence prediction model of P-SSA-TCN-GRU. The proposed model was validated on three wind farms in Shandong Province. The experimental results show that the prediction performance of the proposed model is better than that of the traditional model and other models based on TCN, and the wind speed prediction of wind farms with high precision and strong stability is realized. The wind speed predictions of this model have the potential to become the data that support the operation and management of wind farms. The code is available at link.

We investigate the effect of reward shaping in improving the performance of reinforcement learning in the context of the real-time strategy, capture-the-flag game. The game is characterized by sparse rewards that are associated with infrequently occurring events such as grabbing or capturing the flag, or tagging the opposing player. We show that appropriately designed reward shaping functions applied to different game events can significantly improve the player's performance and training times of the player's learning algorithm. We have validated our reward shaping functions within a simulated environment for playing a marine capture-the-flag game between two players. Our experimental results demonstrate that reward shaping can be used as an effective means to understand the importance of different sub-tasks during game-play towards winning the game, to encode a secondary objective functions such as energy efficiency into a player's game-playing behavior, and, to improve learning generalizable policies that can perform well against different skill levels of the opponent.

Multimodal emotion recognition (MER) in practical scenarios presents a significant challenge due to the presence of incomplete data, such as missing or noisy data. Traditional methods often discard missing data or replace it with a zero vector, neglecting the availability issue of noisy data. Consequently, these approaches are not fully applicable to realistic scenarios, where both missing and noisy data are prevalent. To address this problem, we propose a novel noise-robust MER model, named NMER, which effectively learns robust multimodal joint representations from incomplete data containing noise. Our approach incorporates two key components. First, we introduce a noise scheduler that adjusts the type and level of noise in the training data, emulating the characteristics of incomplete data in realistic scenarios. Second, we employ a Variational AutoEncoder (VAE)-based NMER model to generate robust multimodal joint representations from the noisy data, leveraging the modality invariant feature. The experimental results on the benchmark dataset IEMOCAP indicate the proposed NMER outperforms state-of-the-art MER systems. The ablation results also confirm the effectiveness of the VAE structure. We release our code at \href{https://github.com/WooyoohL/Noise-robust_MER.

RNA protein Interactions (RPIs) play an important role in biological systems. Recently, we have enumerated the RPIs at the residue level and have elucidated the minimum structural unit (MSU) in these interactions to be a stretch of five residues (Nucleotides/amino acids). Pseudouridine is the most frequent modification in RNA. The conversion of uridine to pseudouridine involves interactions between pseudouridine synthase and RNA. The existing models to predict the pseudouridine sites in a given RNA sequence mainly depend on user-defined features such as mono and dinucleotide composition/propensities of RNA sequences. Predicting pseudouridine sites is a non-linear classification problem with limited data points. Deep Learning models are efficient discriminators when the data set size is reasonably large and fail when there is a paucity of data ($<1000$ samples). To mitigate this problem, we propose a Support Vector Machine (SVM) Kernel based on utility theory from Economics, and using data-driven parameters (i.e. MSU) as features. For this purpose, we have used position-specific tri/quad/pentanucleotide composition/propensity (PSPC/PSPP) besides nucleotide and dineculeotide composition as features. SVMs are known to work well in small data regimes and kernels in SVM are designed to classify non-linear data. The proposed model outperforms the existing state-of-the-art models significantly (10%-15% on average).

Deep learning-based lossless compression methods offer substantial advantages in compressing medical volumetric images. Nevertheless, many learning-based algorithms encounter a trade-off between practicality and compression performance. This paper introduces a hardware-friendly streaming lossless volumetric compression framework, utilizing merely one-thousandth of the model weights compared to other learning-based compression frameworks. We propose a gated recurrent convolutional neural network that combines diverse convolutional structures and fusion gate mechanisms to capture the inter-slice dependencies in volumetric images. Based on such contextual information, we can predict the pixel-by-pixel distribution for entropy coding. Guided by hardware/software co-design principles, we implement the proposed framework on Field Programmable Gate Array to achieve enhanced real-time performance. Extensive experimental results indicate that our method outperforms traditional lossless volumetric compressors and state-of-the-art learning-based lossless compression methods across various medical image benchmarks. Additionally, our method exhibits robust generalization ability and competitive compression speed

Spiking neural networks (SNN) distinguish themselves from artificial neural networks (ANN) because of their inherent temporal processing and spike-based computations, enabling a power-efficient implementation in neuromorphic hardware. In this paper, we demonstrate that data processing with spiking neurons can be enhanced by co-learning the connection weights with two other biologically inspired neuronal features: 1) a set of parameters describing neuronal adaptation processes and 2) synaptic propagation delays. The former allows the spiking neuron to learn how to specifically react to incoming spikes based on its past. The trained adaptation parameters result in neuronal heterogeneity, which is found in the brain and also leads to a greater variety in available spike patterns. The latter enables to learn to explicitly correlate patterns that are temporally distanced. Synaptic delays reflect the time an action potential requires to travel from one neuron to another. We show that each of the co-learned features separately leads to an improvement over the baseline SNN and that the combination of both leads to state-of-the-art SNN results on all speech recognition datasets investigated with a simple 2-hidden layer feed-forward network. Our SNN outperforms the ANN on the neuromorpic datasets (Spiking Heidelberg Digits and Spiking Speech Commands), even with fewer trainable parameters. On the 35-class Google Speech Commands dataset, our SNN also outperforms a GRU of similar size. Our work presents brain-inspired improvements to SNN that enable them to excel over an equivalent ANN of similar size on tasks with rich temporal dynamics.

The performance of acoustic models degrades notably in noisy environments. Speech enhancement (SE) can be used as a front-end strategy to aid automatic speech recognition (ASR) systems. However, existing training objectives of SE methods are not fully effective at integrating speech-text and noisy-clean paired data for training toward unseen ASR systems. In this study, we propose a general denoising framework, D4AM, for various downstream acoustic models. Our framework fine-tunes the SE model with the backward gradient according to a specific acoustic model and the corresponding classification objective. In addition, our method aims to consider the regression objective as an auxiliary loss to make the SE model generalize to other unseen acoustic models. To jointly train an SE unit with regression and classification objectives, D4AM uses an adjustment scheme to directly estimate suitable weighting coefficients rather than undergoing a grid search process with additional training costs. The adjustment scheme consists of two parts: gradient calibration and regression objective weighting. The experimental results show that D4AM can consistently and effectively provide improvements to various unseen acoustic models and outperforms other combination setups. Specifically, when evaluated on the Google ASR API with real noisy data completely unseen during SE training, D4AM achieves a relative WER reduction of 24.65% compared with the direct feeding of noisy input. To our knowledge, this is the first work that deploys an effective combination scheme of regression (denoising) and classification (ASR) objectives to derive a general pre-processor applicable to various unseen ASR systems. Our code is available at https://github.com/ChangLee0903/D4AM.

Federated learning (FL) is a promising approach that enables distributed clients to collaboratively train a global model while preserving their data privacy. However, FL often suffers from data heterogeneity problems, which can significantly affect its performance. To address this, clustered federated learning (CFL) has been proposed to construct personalized models for different client clusters. One effective client clustering strategy is to allow clients to choose their own local models from a model pool based on their performance. However, without pre-trained model parameters, such a strategy is prone to clustering failure, in which all clients choose the same model. Unfortunately, collecting a large amount of labeled data for pre-training can be costly and impractical in distributed environments. To overcome this challenge, we leverage self-supervised contrastive learning to exploit unlabeled data for the pre-training of FL systems. Together, self-supervised pre-training and client clustering can be crucial components for tackling the data heterogeneity issues of FL. Leveraging these two crucial strategies, we propose contrastive pre-training-based clustered federated learning (CP-CFL) to improve the model convergence and overall performance of FL systems. In this work, we demonstrate the effectiveness of CP-CFL through extensive experiments in heterogeneous FL settings, and present various interesting observations.

Large language models (LLMs) have demonstrated impressive abilities in various domains while the inference cost is expensive. The state-of-the-art methods use 2-bit quantization for mainstream LLMs. However, challenges still exist: (1) Nonnegligible accuracy loss for 2-bit quantization. Weights are quantized by groups, while the ranges of weights are large in some groups, resulting in large quantization errors and nonnegligible accuracy loss (e.g. >3% for Llama2-7b with 2-bit quantization in GPTQ and Greenbit). (2) Limited accuracy improvement by adding 4-bit weights. Increasing 10% extra average bit more 4-bit weights only leads to 50% execution time, hindering the potential of reducing LLM inference cost. To tackle these challenges, we propose the following techniques: (1) We only quantize a small fraction of groups with the larger range using 4-bit with memory alignment consideration on GPUs. (2) We point out that the distribution of the sparse outliers with larger weights is different in 2-bit and 4-bit groups, and only a small fraction of outliers require 16-bit quantization. Such design leads to >0.5% accuracy improvement with <3% average increased bit for Llama2-7b. (3) We design the asynchronous dequantization on GPUs, leading to up to 3.92X speedup. We conduct extensive experiments on different model families and model sizes. We achieve 2.85-bit for each weight and the end-to-end speedup for Llama2-7b is 1.74X over the original model, and we reduce both runtime cost and hardware cost by up to 2.70X and 2.81X with less GPU requirements.

Eye-tracking is an accessible and non-invasive technology that provides information about a subject's motor and cognitive abilities. As such, it has proven to be a valuable resource in the study of neurodegenerative diseases such as Parkinson's disease. Saccade experiments, in particular, have proven useful in the diagnosis and staging of Parkinson's disease. However, to date, no single eye-movement biomarker has been found to conclusively differentiate patients from healthy controls. In the present work, we investigate the use of state-of-the-art deep learning algorithms to perform Parkinson's disease classification using eye-tracking data from saccade experiments. In contrast to previous work, instead of using hand-crafted features from the saccades, we use raw $\sim1.5\,s$ long fixation intervals recorded during the preparatory phase before each trial. Using these short time series as input we implement two different classification models, InceptionTime and ROCKET. We find that the models are able to learn the classification task and generalize to unseen subjects. InceptionTime achieves $78\%$ accuracy, while ROCKET achieves $88\%$ accuracy. We also employ a novel method for pruning the ROCKET model to improve interpretability and generalizability, achieving an accuracy of $96\%$. Our results suggest that fixation data has low inter-subject variability and potentially carries useful information about brain cognitive and motor conditions, making it suitable for use with machine learning in the discovery of disease-relevant biomarkers.

Adversarial training may be regarded as standard training with a modified loss function. But its generalization error appears much larger than standard training under standard loss. This phenomenon, known as robust overfitting, has attracted significant research attention and remains largely as a mystery. In this paper, we first show empirically that robust overfitting correlates with the increasing generalization difficulty of the perturbation-induced distributions along the trajectory of adversarial training (specifically PGD-based adversarial training). We then provide a novel upper bound for generalization error with respect to the perturbation-induced distributions, in which a notion of the perturbation operator, referred to "local dispersion", plays an important role.

The development of causal prediction models is challenged by the fact that the outcome is only observable for the applied (factual) intervention and not for its alternatives (the so-called counterfactuals); in medicine we only know patients' survival for the administered drug and not for other therapeutic options. Machine learning approaches for counterfactual reasoning have to deal with both unobserved outcomes and distributional differences due to non-random treatment administration. Unsupervised domain adaptation (UDA) addresses similar issues; one has to deal with unobserved outcomes -- the labels of the target domain -- and distributional differences between source and target domain. We propose Adversarial Distribution Balancing for Counterfactual Reasoning (ADBCR), which directly uses potential outcome estimates of the counterfactuals to remove spurious causal relations. We show that ADBCR outcompetes state-of-the-art methods on three benchmark datasets, and demonstrate that ADBCR's performance can be further improved if unlabeled validation data are included in the training procedure to better adapt the model to the validation domain.

Reasoning is a fundamental capability of AI agents. Recently, large language models (LLMs) have shown remarkable abilities to perform reasoning tasks. However, numerous evaluations of the reasoning capabilities of LLMs have also showed some limitations. An outstanding limitation is length generalization, meaning that when trained on reasoning problems of smaller lengths or sizes, the resulting models struggle with problems of larger sizes or lengths. This potentially indicates some theoretical limitations of generalization in learning reasoning skills. These evaluations and their observations motivated us to perform a theoretical study of the length generalization problem. This work focused on reasoning tasks that can be formulated as Markov dynamic processes (MDPs) and/or directed acyclic graphs (DAGs). It identifies and proves conditions that decide whether the length generalization problem can be solved or not for a reasoning task in a particular representation. Experiments are also conducted to verify the theoretical results.

Neural Ordinary Differential Equations (Neural ODEs) is a class of deep neural network models that interpret the hidden state dynamics of neural networks as an ordinary differential equation, thereby capable of capturing system dynamics in a continuous time framework. In this work, I integrate symmetry regularization into Neural ODEs. In particular, I use continuous Lie symmetry of ODEs and PDEs associated with the model to derive conservation laws and add them to the loss function, making it physics-informed. This incorporation of inherent structural properties into the loss function could significantly improve robustness and stability of the model during training. To illustrate this method, I employ a toy model that utilizes a cosine rate of change in the hidden state, showcasing the process of identifying Lie symmetries, deriving conservation laws, and constructing a new loss function.

Federated learning is a machine learning protocol that enables a large population of agents to collaborate over multiple rounds to produce a single consensus model. There are several federated learning applications where agents may choose to defect permanently$-$essentially withdrawing from the collaboration$-$if they are content with their instantaneous model in that round. This work demonstrates the detrimental impact of such defections on the final model's robustness and ability to generalize. We also show that current federated optimization algorithms fail to disincentivize these harmful defections. We introduce a novel optimization algorithm with theoretical guarantees to prevent defections while ensuring asymptotic convergence to an effective solution for all participating agents. We also provide numerical experiments to corroborate our findings and demonstrate the effectiveness of our algorithm.

Combining machine learning with physics is a trending approach for discovering unknown dynamics, and one of the most intensively studied frameworks is the physics-informed neural network (PINN). However, PINN often fails to optimize the network due to its difficulty in concurrently minimizing multiple losses originating from the system's governing equations. This problem can be more serious when the system's states are unmeasurable, like lithium-ion batteries (LiBs). In this work, we introduce a robust method for training PINN that uses fewer loss terms and thus constructs a less complex landscape for optimization. In particular, instead of having loss terms from each differential equation, this method embeds the dynamics into a loss function that quantifies the error between observed and predicted system outputs. This is accomplished by numerically integrating the predicted states from the neural network(NN) using known dynamics and transforming them to obtain a sequence of predicted outputs. Minimizing such a loss optimizes the NN to predict states consistent with observations given the physics. Further, the system's parameters can be added to the optimization targets. To demonstrate the ability of this method to perform various modeling and control tasks, we apply it to a battery model to concurrently estimate its states and parameters.

Early diagnosis of diseases holds the potential for deep transformation in healthcare by enabling better treatment options, improving long-term survival and quality of life, and reducing overall cost. With the advent of medical big data, advances in diagnostic tests as well as in machine learning and statistics, early or timely diagnosis seems within reach. Early diagnosis research often neglects the potential for optimizing individual diagnostic paths. To enable personalized early diagnosis, a foundational framework is needed that delineates the diagnosis process and systematically identifies the time-dependent value of various diagnostic tests for an individual patient given their unique characteristics. Here, we propose the first foundational framework for early and timely diagnosis. It builds on decision-theoretic approaches to outline the diagnosis process and integrates machine learning and statistical methodology for estimating the optimal personalized diagnostic path. To describe the proposed framework as well as possibly other frameworks, we provide essential definitions. The development of a foundational framework is necessary for several reasons: 1) formalism provides clarity for the development of decision support tools; 2) observed information can be complemented with estimates of the future patient trajectory; 3) the net benefit of counterfactual diagnostic paths and associated uncertainties can be modeled for individuals 4) 'early' and 'timely' diagnosis can be clearly defined; 5) a mechanism emerges for assessing the value of technologies in terms of their impact on personalized early diagnosis, resulting health outcomes and incurred costs. Finally, we hope that this foundational framework will unlock the long-awaited potential of timely diagnosis and intervention, leading to improved outcomes for patients and higher cost-effectiveness for healthcare systems.

Recent advances in image tokenizers, such as VQ-VAE, have enabled text-to-image generation using auto-regressive methods, similar to language modeling. However, these methods have yet to leverage pre-trained language models, despite their adaptability to various downstream tasks. In this work, we explore this gap by adapting a pre-trained language model for auto-regressive text-to-image generation, and find that pre-trained language models offer limited help. We provide a two-fold explanation by analyzing tokens from each modality. First, we demonstrate that image tokens possess significantly different semantics compared to text tokens, rendering pre-trained language models no more effective in modeling them than randomly initialized ones. Second, the text tokens in the image-text datasets are too simple compared to normal language model pre-training data, which causes the catastrophic degradation of language models' capability.

Approximately 30% of all traffic fatalities in the United States are attributed to alcohol-impaired driving. This means that, despite stringent laws against this offense in every state, the frequency of drunk driving accidents is alarming, resulting in approximately one person being killed every 45 minutes. The process of charging individuals with Driving Under the Influence (DUI) is intricate and can sometimes be subjective, involving multiple stages such as observing the vehicle in motion, interacting with the driver, and conducting Standardized Field Sobriety Tests (SFSTs). Biases have been observed through racial profiling, leading to some groups and geographical areas facing fewer DUI tests, resulting in many actual DUI incidents going undetected, ultimately leading to a higher number of fatalities. To tackle this issue, our research introduces an Artificial Intelligence-based predictor that is both fairness-aware and incorporates domain knowledge to analyze DUI-related fatalities in different geographic locations. Through this model, we gain intriguing insights into the interplay between various demographic groups, including age, race, and income. By utilizing the provided information to allocate policing resources in a more equitable and efficient manner, there is potential to reduce DUI-related fatalities and have a significant impact on road safety.

The clinical management of breast cancer depends on an accurate understanding of the tumor and its anatomical context to adjacent tissues and landmark structures. This context may be provided by semantic segmentation methods; however, previous works have been largely limited to a singular focus on the tumor alone and rarely other tissue types. In contrast, we present a method that exploits tissue-tissue interactions to accurately segment every major tissue type in the breast including: chest wall, skin, adipose tissue, fibroglandular tissue, vasculature and tumor via standard-of-care Dynamic Contrast Enhanced MRI. Comparing our method to prior state-of-the-art, we achieved a superior Dice score on tumor segmentation while maintaining competitive performance on other studied tissues across multiple institutions. Briefly, our method proceeds by localizing the tumor using 2D object detectors, then segmenting the tumor and surrounding tissues independently using two 3D U-nets, and finally integrating these results while mitigating false positives by checking for anatomically plausible tissue-tissue contacts. The object detection models were pre-trained on ImageNet and COCO, and operated on MIP (maximum intensity projection) images in the axial and sagittal planes, establishing a 3D tumor bounding box. By integrating multiple relevant peri-tumoral tissues, our work enables clinical applications in breast cancer staging, prognosis and surgical planning.

We present Symphony, an $E(3)$-equivariant autoregressive generative model for 3D molecular geometries that iteratively builds a molecule from molecular fragments. Existing autoregressive models such as G-SchNet and G-SphereNet for molecules utilize rotationally invariant features to respect the 3D symmetries of molecules. In contrast, Symphony uses message-passing with higher-degree $E(3)$-equivariant features. This allows a novel representation of probability distributions via spherical harmonic signals to efficiently model the 3D geometry of molecules. We show that Symphony is able to accurately generate small molecules from the QM9 dataset, outperforming existing autoregressive models and approaching the performance of diffusion models.

Modern ML systems ingest data aggregated from diverse sources, such as synthetic, human-annotated, and live customer traffic. Understanding \textit{which} examples are important to the performance of a learning algorithm is crucial for efficient model training. Recently, a growing body of literature has given rise to various "influence scores," which use training artifacts such as model confidence or checkpointed gradients to identify important subsets of data. However, these methods have primarily been developed in computer vision settings, and it remains unclear how well they generalize to language-based tasks using pretrained models. In this paper, we explore the applicability of influence scores in language classification tasks. We evaluate a diverse subset of these scores on the SNLI dataset by quantifying accuracy changes in response to pruning training data through random and influence-score-based sampling. We then stress-test one of the scores -- "variance of gradients" (VoG) from Agarwal et al. (2022) -- in an NLU model stack that was exposed to dynamic user speech patterns in a voice assistant type of setting. Our experiments demonstrate that in many cases, encoder-based language models can be finetuned on roughly 50% of the original data without degradation in performance metrics. Along the way, we summarize lessons learned from applying out-of-the-box implementations of influence scores, quantify the effects of noisy and class-imbalanced data, and offer recommendations on score-based sampling for better accuracy and training efficiency.

Despite the outstanding performance of deep neural networks, they are vulnerable to adversarial attacks. While there are many invisible attacks in the digital domain, most physical world adversarial attacks are visible. Here we present an invisible optical adversarial attack that uses a light source to dazzle a CMOS camera with a rolling shutter. We present the photopic conditions required to keep the attacking light source completely invisible while sufficiently jamming the captured image so that a deep neural network applied to it is deceived.

Federated learning (FL) is a promising distributed learning framework where distributed clients collaboratively train a machine learning model coordinated by a server. To tackle the stragglers issue in asynchronous FL, we consider that each client keeps local updates and probabilistically transmits the local model to the server at arbitrary times. We first derive the (approximate) expression for the convergence rate based on the probabilistic client selection. Then, an optimization problem is formulated to trade off the convergence rate of asynchronous FL and mobile energy consumption by joint probabilistic client selection and bandwidth allocation. We develop an iterative algorithm to solve the non-convex problem globally optimally. Experiments demonstrate the superiority of the proposed approach compared with the traditional schemes.

In wireless communication systems, the asynchronization of the oscillators in the transmitter and the receiver along with the Doppler shift due to relative movement may lead to the presence of carrier frequency offset (CFO) in the received signals. Estimation of CFO is crucial for subsequent processing such as coherent demodulation. In this brief, we demonstrate the utilization of deep learning for CFO estimation by employing a residual network (ResNet) to learn and extract signal features from the raw in-phase (I) and quadrature (Q) components of the signals. We use multiple modulation schemes in the training set to make the trained model adaptable to multiple modulations or even new signals. In comparison to the commonly used traditional CFO estimation methods, our proposed IQ-ResNet method exhibits superior performance across various scenarios including different oversampling ratios, various signal lengths, and different channels

Facilitating online learning in spiking neural networks (SNNs) is a key step in developing event-based models that can adapt to changing environments and learn from continuous data streams in real-time. Although forward-mode differentiation enables online learning, its computational requirements restrict scalability. This is typically addressed through approximations that limit learning in deep models. In this study, we propose Online Training with Postsynaptic Estimates (OTPE) for training feed-forward SNNs, which approximates Real-Time Recurrent Learning (RTRL) by incorporating temporal dynamics not captured by current approximations, such as Online Training Through Time (OTTT) and Online Spatio-Temporal Learning (OSTL). We show improved scaling for multi-layer networks using a novel approximation of temporal effects on the subsequent layer's activity. This approximation incurs minimal overhead in the time and space complexity compared to similar algorithms, and the calculation of temporal effects remains local to each layer. We characterize the learning performance of our proposed algorithms on multiple SNN model configurations for rate-based and time-based encoding. OTPE exhibits the highest directional alignment to exact gradients, calculated with backpropagation through time (BPTT), in deep networks and, on time-based encoding, outperforms other approximate methods. We also observe sizeable gains in average performance over similar algorithms in offline training of Spiking Heidelberg Digits with equivalent hyper-parameters (OTTT/OSTL - 70.5%; OTPE - 75.2%; BPTT - 78.1%).

We propose a dual-stream multi-scale vision transformer (DS-MSHViT) architecture that processes RGB and optical flow inputs for efficient sewer defect classification. Unlike existing methods that combine the predictions of two separate networks trained on each modality, we jointly train a single network with two branches for RGB and motion. Our key idea is to use self-attention regularization to harness the complementary strengths of the RGB and motion streams. The motion stream alone struggles to generate accurate attention maps, as motion images lack the rich visual features present in RGB images. To facilitate this, we introduce an attention consistency loss between the dual streams. By leveraging motion cues through a self-attention regularizer, we align and enhance RGB attention maps, enabling the network to concentrate on pertinent input regions. We evaluate our data on a public dataset as well as cross-validate our model performance in a novel dataset. Our method outperforms existing models that utilize either convolutional neural networks (CNNs) or multi-scale hybrid vision transformers (MSHViTs) without employing attention regularization between the two streams.

The Diffusion model, a prevalent framework for image generation, encounters significant challenges in terms of broad applicability due to its extended inference times and substantial memory requirements. Efficient Post-training Quantization (PTQ) is pivotal for addressing these issues in traditional models. Different from traditional models, diffusion models heavily depend on the time-step $t$ to achieve satisfactory multi-round denoising. Usually, $t$ from the finite set $\{1, \ldots, T\}$ is encoded to a temporal feature by a few modules totally irrespective of the sampling data. However, existing PTQ methods do not optimize these modules separately. They adopt inappropriate reconstruction targets and complex calibration methods, resulting in a severe disturbance of the temporal feature and denoising trajectory, as well as a low compression efficiency. To solve these, we propose a Temporal Feature Maintenance Quantization (TFMQ) framework building upon a Temporal Information Block which is just related to the time-step $t$ and unrelated to the sampling data. Powered by the pioneering block design, we devise temporal information aware reconstruction (TIAR) and finite set calibration (FSC) to align the full-precision temporal features in a limited time. Equipped with the framework, we can maintain the most temporal information and ensure the end-to-end generation quality. Extensive experiments on various datasets and diffusion models prove our state-of-the-art results. Remarkably, our quantization approach, for the first time, achieves model performance nearly on par with the full-precision model under 4-bit weight quantization. Additionally, our method incurs almost no extra computational cost and accelerates quantization time by $2.0 \times$ on LSUN-Bedrooms $256 \times 256$ compared to previous works.

Graph neural networks (GNNs) have gained significant popularity for classification tasks in machine learning, yet their applications to regression problems remain limited. Concurrently, attention mechanisms have emerged as powerful tools in sequential learning tasks. In this paper, we employ GNNs and attention mechanisms to address a classical but challenging nonlinear regression problem: network localization. We propose a novel GNN-based network localization method that achieves exceptional stability and accuracy in the presence of severe non-line-of-sight (NLOS) propagations, while eliminating the need for laborious offline calibration or NLOS identification. Extensive experimental results validate the effectiveness and high accuracy of our GNN-based localization model, particularly in challenging NLOS scenarios. However, the proposed GNN-based model exhibits limited flexibility, and its accuracy is highly sensitive to a specific hyperparameter that determines the graph structure. To address the limitations and extend the applicability of the GNN-based model to real scenarios, we introduce two attentional graph neural networks (AGNNs) that offer enhanced flexibility and the ability to automatically learn the optimal hyperparameter for each node. Experimental results confirm that the AGNN models are able to enhance localization accuracy, providing a promising solution for real-world applications. We also provide some analyses of the improved performance achieved by the AGNN models from the perspectives of dynamic attention and signal denoising characteristics.  ( 2 min )

This paper introduces a novel contextual bandit algorithm for personalized pricing under utility fairness constraints in scenarios with uncertain demand, achieving an optimal regret upper bound. Our approach, which incorporates dynamic pricing and demand learning, addresses the critical challenge of fairness in pricing strategies. We first delve into the static full-information setting to formulate an optimal pricing policy as a constrained optimization problem. Here, we propose an approximation algorithm for efficiently and approximately computing the ideal policy. We also use mathematical analysis and computational studies to characterize the structures of optimal contextual pricing policies subject to fairness constraints, deriving simplified policies which lays the foundations of more in-depth research and extensions. Further, we extend our study to dynamic pricing problems with demand learning, establishing a non-standard regret lower bound that highlights the complexity added by fairness constraints. Our research offers a comprehensive analysis of the cost of fairness and its impact on the balance between utility and revenue maximization. This work represents a step towards integrating ethical considerations into algorithmic efficiency in data-driven dynamic pricing.  ( 2 min )

Monitoring air pollution is of vital importance to the overall health of the population. Unfortunately, devices that can measure air quality can be expensive, and many cities in low and middle-income countries have to rely on a sparse allocation of them. In this paper, we investigate the use of Gaussian Processes for both nowcasting the current air-pollution in places where there are no sensors and forecasting the air-pollution in the future at the sensor locations. In particular, we focus on the city of Kampala in Uganda, using data from AirQo's network of sensors. We demonstrate the advantage of removing outliers, compare different kernel functions and additional inputs. We also compare two sparse approximations to allow for the large amounts of temporal data in the dataset.  ( 2 min )

A Bayesian approach to machine learning is attractive when we need to quantify uncertainty, deal with missing observations, when samples are scarce, or when the data is sparse. All of these commonly apply when analysing healthcare data. To address these analytical requirements, we propose a deep generative model for multinomial count data where both the weights and hidden units of the network are Dirichlet distributed. A Gibbs sampling procedure is formulated that takes advantage of a series of augmentation relations, analogous to the Zhou-Cong-Chen model. We apply the model on small handwritten digits, and a large experimental dataset of DNA mutations in cancer, and we show how the model is able to extract biologically meaningful meta-signatures in a fully data-driven way.  ( 2 min )

Simulation-Based Inference (SBI) is a common name for an emerging family of approaches that infer the model parameters when the likelihood is intractable. Existing SBI methods either approximate the likelihood, such as Approximate Bayesian Computation (ABC) or directly model the posterior, such as Sequential Neural Posterior Estimation (SNPE). While ABC is efficient on low-dimensional problems, on higher-dimensional tasks, it is generally outperformed by SNPE, which leverages function approximation. In this paper, we propose Pseudo-Likelihood Inference (PLI), a new method that brings neural approximation into ABC, making it competitive on challenging Bayesian system identification tasks. By utilizing integral probability metrics, we introduce a smooth likelihood kernel with an adaptive bandwidth that is updated based on information-theoretic trust regions. Thanks to this formulation, our method (i) allows for optimizing neural posteriors via gradient descent, (ii) does not rely on summary statistics, and (iii) enables multiple observations as input. In comparison to SNPE, it leads to improved performance when more data is available. The effectiveness of PLI is evaluated on four classical SBI benchmark tasks and on a highly dynamic physical system, showing particular advantages on stochastic simulations and multi-modal posterior landscapes.  ( 2 min )

Recently, nonlinear ICA has surfaced as a popular alternative to the many heuristic models used in deep representation learning and disentanglement. An advantage of nonlinear ICA is that a sophisticated identifiability theory has been developed; in particular, it has been proven that the original components can be recovered under sufficiently strong latent dependencies. Despite this general theory, practical nonlinear ICA algorithms have so far been mainly limited to data with one-dimensional latent dependencies, especially time-series data. In this paper, we introduce a new nonlinear ICA framework that employs $t$-process (TP) latent components which apply naturally to data with higher-dimensional dependency structures, such as spatial and spatio-temporal data. In particular, we develop a new learning and inference algorithm that extends variational inference methods to handle the combination of a deep neural network mixing function with the TP prior, and employs the method of inducing points for computational efficacy. On the theoretical side, we show that such TP independent components are identifiable under very general conditions. Further, Gaussian Process (GP) nonlinear ICA is established as a limit of the TP Nonlinear ICA model, and we prove that the identifiability of the latent components at this GP limit is more restricted. Namely, those components are identifiable if and only if they have distinctly different covariance kernels. Our algorithm and identifiability theorems are explored on simulated spatial data and real world spatio-temporal data.  ( 2 min )

Wasserstein distributionally robust optimization has recently emerged as a powerful framework for robust estimation, enjoying good out-of-sample performance guarantees, well-understood regularization effects, and computationally tractable reformulations. In such framework, the estimator is obtained by minimizing the worst-case expected loss over all probability distributions which are close, in a Wasserstein sense, to the empirical distribution. In this paper, we propose a Wasserstein distributionally robust estimation framework to estimate an unknown parameter from noisy linear measurements, and we focus on the task of analyzing the squared error performance of such estimators. Our study is carried out in the modern high-dimensional proportional regime, where both the ambient dimension and the number of samples go to infinity at a proportional rate which encodes the under/over-parametrization of the problem. Under an isotropic Gaussian features assumption, we show that the squared error can be recovered as the solution of a convex-concave optimization problem which, surprinsingly, involves at most four scalar variables. Importantly, the precise quantification of the squared error allows to accurately and efficiently compare different ambiguity radii and to understand the effect of the under/over-parametrization on the estimation error. We conclude the paper with a list of exciting research directions enabled by our results.

Most scientific challenges can be framed into one of the following three levels of complexity of function approximation. Type 1: Approximate an unknown function given input/output data. Type 2: Consider a collection of variables and functions, some of which are unknown, indexed by the nodes and hyperedges of a hypergraph (a generalized graph where edges can connect more than two vertices). Given partial observations of the variables of the hypergraph (satisfying the functional dependencies imposed by its structure), approximate all the unobserved variables and unknown functions. Type 3: Expanding on Type 2, if the hypergraph structure itself is unknown, use partial observations of the variables of the hypergraph to discover its structure and approximate its unknown functions. While most Computational Science and Engineering and Scientific Machine Learning challenges can be framed as Type 1 and Type 2 problems, many scientific problems can only be categorized as Type 3. Despite their prevalence, these Type 3 challenges have been largely overlooked due to their inherent complexity. Although Gaussian Process (GP) methods are sometimes perceived as well-founded but old technology limited to Type 1 curve fitting, their scope has recently been expanded to Type 2 problems. In this paper, we introduce an interpretable GP framework for Type 3 problems, targeting the data-driven discovery and completion of computational hypergraphs. Our approach is based on a kernel generalization of Row Echelon Form reduction from linear systems to nonlinear ones and variance-based analysis. Here, variables are linked via GPs and those contributing to the highest data variance unveil the hypergraph's structure. We illustrate the scope and efficiency of the proposed approach with applications to (algebraic) equation discovery, network discovery (gene pathways, chemical, and mechanical) and raw data analysis.  ( 3 min )

Nonparametric estimation of nonlocal interaction kernels is crucial in various applications involving interacting particle systems. The inference challenge, situated at the nexus of statistical learning and inverse problems, comes from the nonlocal dependency. A central question is whether the optimal minimax rate of convergence for this problem aligns with the rate of $M^{-\frac{2\beta}{2\beta+1}}$ in classical nonparametric regression, where $M$ is the sample size and $\beta$ represents the smoothness exponent of the radial kernel. Our study confirms this alignment for systems with a finite number of particles. We introduce a tamed least squares estimator (tLSE) that attains the optimal convergence rate for a broad class of exchangeable distributions. The tLSE bridges the smallest eigenvalue of random matrices and Sobolev embedding. This estimator relies on nonasymptotic estimates for the left tail probability of the smallest eigenvalue of the normal matrix. The lower minimax rate is derived using the Fano-Tsybakov hypothesis testing method. Our findings reveal that provided the inverse problem in the large sample limit satisfies a coercivity condition, the left tail probability does not alter the bias-variance tradeoff, and the optimal minimax rate remains intact. Our tLSE method offers a straightforward approach for establishing the optimal minimax rate for models with either local or nonlocal dependency.  ( 2 min )

Missing data is a common problem in practical settings. Various imputation methods have been developed to deal with missing data. However, even though the label is usually available in the training data, the common practice of imputation usually only relies on the input and ignores the label. In this work, we illustrate how stacking the label into the input can significantly improve the imputation of the input. In addition, we propose a classification strategy that initializes the predicted test label with missing values and stacks the label with the input for imputation. This allows imputing the label and the input at the same time. Also, the technique is capable of handling data training with missing labels without any prior imputation and is applicable to continuous, categorical, or mixed-type data. Experiments show promising results in terms of accuracy.  ( 2 min )

From their inception, quaternions and their division algebra have proven to be advantageous in modelling rotation/orientation in three-dimensional spaces and have seen use from the initial formulation of electromagnetic filed theory through to forming the basis of quantum filed theory. Despite their impressive versatility in modelling real-world phenomena, adaptive information processing techniques specifically designed for quaternion-valued signals have only recently come to the attention of the machine learning, signal processing, and control communities. The most important development in this direction is introduction of the HR-calculus, which provides the required mathematical foundation for deriving adaptive information processing techniques directly in the quaternion domain. In this article, the foundations of the HR-calculus are revised and the required tools for deriving adaptive learning techniques suitable for dealing with quaternion-valued signals, such as the gradient operator, chain and product derivative rules, and Taylor series expansion are presented. This serves to establish the most important applications of adaptive information processing in the quaternion domain for both single-node and multi-node formulations. The article is supported by Supplementary Material, which will be referred to as SM.  ( 2 min )

Many problems in machine learning can be formulated as solving entropy-regularized optimal transport on the space of probability measures. The canonical approach involves the Sinkhorn iterates, renowned for their rich mathematical properties. Recently, the Sinkhorn algorithm has been recast within the mirror descent framework, thus benefiting from classical optimization theory insights. Here, we build upon this result by introducing a continuous-time analogue of the Sinkhorn algorithm. This perspective allows us to derive novel variants of Sinkhorn schemes that are robust to noise and bias. Moreover, our continuous-time dynamics not only generalize but also offer a unified perspective on several recently discovered dynamics in machine learning and mathematics, such as the "Wasserstein mirror flow" of (Deb et al. 2023) or the "mean-field Schr\"odinger equation" of (Claisse et al. 2023).  ( 2 min )

Neural Ordinary Differential Equations (Neural ODEs) is a class of deep neural network models that interpret the hidden state dynamics of neural networks as an ordinary differential equation, thereby capable of capturing system dynamics in a continuous time framework. In this work, I integrate symmetry regularization into Neural ODEs. In particular, I use continuous Lie symmetry of ODEs and PDEs associated with the model to derive conservation laws and add them to the loss function, making it physics-informed. This incorporation of inherent structural properties into the loss function could significantly improve robustness and stability of the model during training. To illustrate this method, I employ a toy model that utilizes a cosine rate of change in the hidden state, showcasing the process of identifying Lie symmetries, deriving conservation laws, and constructing a new loss function.  ( 2 min )

We present the first comprehensive and large-scale evaluation of classical (NN), fuzzy (FNN) and fuzzy rough (FRNN) nearest neighbour classification. We show that existing proposals for nearest neighbour weighting can be standardised in the form of kernel functions, applied to the distance values and/or ranks of the nearest neighbours of a test instance. Furthermore, we identify three commonly used distance functions and four scaling measures. We systematically evaluate these choices on a collection of 85 real-life classification datasets. We find that NN, FNN and FRNN all perform best with Boscovich distance. NN and FRNN perform best with a combination of Samworth rank- and distance weights and scaling by the mean absolute deviation around the median ($r_1$), the standard deviaton ($r_2$) or the interquartile range ($r_{\infty}^*$), while FNN performs best with only Samworth distance-weights and $r_1$- or $r_2$-scaling. We also introduce a new kernel based on fuzzy Yager negation, and show that NN achieves comparable performance with Yager distance-weights, which are simpler to implement than a combination of Samworth distance- and rank-weights. Finally, we demonstrate that FRNN generally outperforms NN, which in turns performs systematically better than FNN.  ( 2 min )

We study the problem of recovering Gaussian data under adversarial corruptions when the noises are low-rank and the corruptions are on the coordinate level. Concretely, we assume that the Gaussian noises lie in an unknown $k$-dimensional subspace $U \subseteq \mathbb{R}^d$, and $s$ randomly chosen coordinates of each data point fall into the control of an adversary. This setting models the scenario of learning from high-dimensional yet structured data that are transmitted through a highly-noisy channel, so that the data points are unlikely to be entirely clean. Our main result is an efficient algorithm that, when $ks^2 = O(d)$, recovers every single data point up to a nearly-optimal $\ell_1$ error of $\tilde O(ks/d)$ in expectation. At the core of our proof is a new analysis of the well-known Basis Pursuit (BP) method for recovering a sparse signal, which is known to succeed under additional assumptions (e.g., incoherence or the restricted isometry property) on the underlying subspace $U$. In contrast, we present a novel approach via studying a natural combinatorial problem and show that, over the randomness in the support of the sparse signal, a high-probability error bound is possible even if the subspace $U$ is arbitrary.  ( 2 min )

This paper discusses estimation with a categorical instrumental variable in settings with potentially few observations per category. The proposed categorical instrumental variable estimator (CIV) leverages a regularization assumption that implies existence of a latent categorical variable with fixed finite support achieving the same first stage fit as the observed instrument. In asymptotic regimes that allow the number of observations per category to grow at arbitrary small polynomial rate with the sample size, I show that when the cardinality of the support of the optimal instrument is known, CIV is root-n asymptotically normal, achieves the same asymptotic variance as the oracle IV estimator that presumes knowledge of the optimal instrument, and is semiparametrically efficient under homoskedasticity. Under-specifying the number of support points reduces efficiency but maintains asymptotic normality.  ( 2 min )

Machine learning models -- including prominent zero-shot models -- are often trained on datasets whose labels are only a small proportion of a larger label space. Such spaces are commonly equipped with a metric that relates the labels via distances between them. We propose a simple approach to exploit this information to adapt the trained model to reliably predict new classes -- or, in the case of zero-shot prediction, to improve its performance -- without any additional training. Our technique is a drop-in replacement of the standard prediction rule, swapping argmax with the Fr\'echet mean. We provide a comprehensive theoretical analysis for this approach, studying (i) learning-theoretic results trading off label space diameter, sample complexity, and model dimension, (ii) characterizations of the full range of scenarios in which it is possible to predict any unobserved class, and (iii) an optimal active learning-like next class selection procedure to obtain optimal training classes for when it is not possible to predict the entire range of unobserved classes. Empirically, using easily-available external metrics, our proposed approach, Loki, gains up to 29.7% relative improvement over SimCLR on ImageNet and scales to hundreds of thousands of classes. When no such metric is available, Loki can use self-derived metrics from class embeddings and obtains a 10.5% improvement on pretrained zero-shot models such as CLIP.  ( 2 min )

Generalized Additive Models (GAMs) have recently experienced a resurgence in popularity due to their interpretability, which arises from expressing the target value as a sum of non-linear transformations of the features. Despite the current enthusiasm for GAMs, their susceptibility to concurvity - i.e., (possibly non-linear) dependencies between the features - has hitherto been largely overlooked. Here, we demonstrate how concurvity can severly impair the interpretability of GAMs and propose a remedy: a conceptually simple, yet effective regularizer which penalizes pairwise correlations of the non-linearly transformed feature variables. This procedure is applicable to any differentiable additive model, such as Neural Additive Models or NeuralProphet, and enhances interpretability by eliminating ambiguities due to self-canceling feature contributions. We validate the effectiveness of our regularizer in experiments on synthetic as well as real-world datasets for time-series and tabular data. Our experiments show that concurvity in GAMs can be reduced without significantly compromising prediction quality, improving interpretability and reducing variance in the feature importances.  ( 2 min )

We consider kernels of the form $(x,x') \mapsto \phi(\|x-x'\|^2_\Sigma)$ parametrized by $\Sigma$. For such kernels, we study a variant of the kernel ridge regression problem which simultaneously optimizes the prediction function and the parameter $\Sigma$ of the reproducing kernel Hilbert space. The eigenspace of the $\Sigma$ learned from this kernel ridge regression problem can inform us which directions in covariate space are important for prediction. Assuming that the covariates have nonzero explanatory power for the response only through a low dimensional subspace (central mean subspace), we find that the global minimizer of the finite sample kernel learning objective is also low rank with high probability. More precisely, the rank of the minimizing $\Sigma$ is with high probability bounded by the dimension of the central mean subspace. This phenomenon is interesting because the low rankness property is achieved without using any explicit regularization of $\Sigma$, e.g., nuclear norm penalization. Our theory makes correspondence between the observed phenomenon and the notion of low rank set identifiability from the optimization literature. The low rankness property of the finite sample solutions exists because the population kernel learning objective grows "sharply" when moving away from its minimizers in any direction perpendicular to the central mean subspace.  ( 2 min )

Reinforcement learning (RL) has shown empirical success in various real world settings with complex models and large state-action spaces. The existing analytical results, however, typically focus on settings with a small number of state-actions or simple models such as linearly modeled state-action value functions. To derive RL policies that efficiently handle large state-action spaces with more general value functions, some recent works have considered nonlinear function approximation using kernel ridge regression. We propose $\pi$-KRVI, an optimistic modification of least-squares value iteration, when the state-action value function is represented by a reproducing kernel Hilbert space (RKHS). We prove the first order-optimal regret guarantees under a general setting. Our results show a significant polynomial in the number of episodes improvement over the state of the art. In particular, with highly non-smooth kernels (such as Neural Tangent kernel or some Mat\'ern kernels) the existing results lead to trivial (superlinear in the number of episodes) regret bounds. We show a sublinear regret bound that is order optimal in the case of Mat\'ern kernels where a lower bound on regret is known.  ( 2 min )

Neural networks' expressiveness comes at the cost of complex, black-box models that often extrapolate poorly beyond the domain of the training dataset, conflicting with the goal of finding compact analytic expressions to describe scientific data. We introduce OccamNet, a neural network model that finds interpretable, compact, and sparse symbolic fits to data, \`a la Occam's razor. Our model defines a probability distribution over functions with efficient sampling and function evaluation. We train by sampling functions and biasing the probability mass toward better fitting solutions, backpropagating using cross-entropy matching in a reinforcement-learning loss. OccamNet can identify symbolic fits for a variety of problems, including analytic and non-analytic functions, implicit functions, and simple image classification, and can outperform state-of-the-art symbolic regression methods on real-world regression datasets. Our method requires a minimal memory footprint, fits complicated functions in minutes on a single CPU, and scales on a GPU.  ( 2 min )

Data-driven decision making plays an important role even in high stakes settings like medicine and public policy. Learning optimal policies from observed data requires a careful formulation of the utility function whose expected value is maximized across a population. Although researchers typically use utilities that depend on observed outcomes alone, in many settings the decision maker's utility function is more properly characterized by the joint set of potential outcomes under all actions. For example, the Hippocratic principle to "do no harm" implies that the cost of causing death to a patient who would otherwise survive without treatment is greater than the cost of forgoing life-saving treatment. We consider optimal policy learning with asymmetric counterfactual utility functions of this form that consider the joint set of potential outcomes. We show that asymmetric counterfactual utilities lead to an unidentifiable expected utility function, and so we first partially identify it. Drawing on statistical decision theory, we then derive minimax decision rules by minimizing the maximum expected utility loss relative to different alternative policies. We show that one can learn minimax loss decision rules from observed data by solving intermediate classification problems, and establish that the finite sample excess expected utility loss of this procedure is bounded by the regret of these intermediate classifiers. We apply this conceptual framework and methodology to the decision about whether or not to use right heart catheterization for patients with possible pulmonary hypertension.  ( 3 min )

Optimization problems involving minimization of a rank-one convex function over constraints modeling restrictions on the support of the decision variables emerge in various machine learning applications. These problems are often modeled with indicator variables for identifying the support of the continuous variables. In this paper we investigate compact extended formulations for such problems through perspective reformulation techniques. In contrast to the majority of previous work that relies on support function arguments and disjunctive programming techniques to provide convex hull results, we propose a constructive approach that exploits a hidden conic structure induced by perspective functions. To this end, we first establish a convex hull result for a general conic mixed-binary set in which each conic constraint involves a linear function of independent continuous variables and a set of binary variables. We then demonstrate that extended representations of sets associated with epigraphs of rank-one convex functions over constraints modeling indicator relations naturally admit such a conic representation. This enables us to systematically give perspective formulations for the convex hull descriptions of these sets with nonlinear separable or non-separable objective functions, sign constraints on continuous variables, and combinatorial constraints on indicator variables. We illustrate the efficacy of our results on sparse nonnegative logistic regression problems.  ( 2 min )

Ordinary differential equations (ODEs) can provide mechanistic models of temporally local changes of processes, where parameters are often informed by external knowledge. While ODEs are popular in systems modeling, they are less established for statistical modeling of longitudinal cohort data, e.g., in a clinical setting. Yet, modeling of local changes could also be attractive for assessing the trajectory of an individual in a cohort in the immediate future given its current status, where ODE parameters could be informed by further characteristics of the individual. However, several hurdles so far limit such use of ODEs, as compared to regression-based function fitting approaches. The potentially higher level of noise in cohort data might be detrimental to ODEs, as the shape of the ODE solution heavily depends on the initial value. In addition, larger numbers of variables multiply such problems and might be difficult to handle for ODEs. To address this, we propose to use each observation in the course of time as the initial value to obtain multiple local ODE solutions and build a combined estimator of the underlying dynamics. Neural networks are used for obtaining a low-dimensional latent space for dynamic modeling from a potentially large number of variables, and for obtaining patient-specific ODE parameters from baseline variables. Simultaneous identification of dynamic models and of a latent space is enabled by recently developed differentiable programming techniques. We illustrate the proposed approach in an application with spinal muscular atrophy patients and a corresponding simulation study. In particular, modeling of local changes in health status at any point in time is contrasted to the interpretation of functions obtained from a global regression. This more generally highlights how different application settings might demand different modeling strategies.  ( 3 min )

Missing data are frequently observed by practitioners and researchers in the building energy modeling community. In this regard, advanced data-driven solutions, such as Deep Learning methods, are typically required to reflect the non-linear behavior of these anomalies. As an ongoing research question related to Deep Learning, a model's applicability to limited data settings can be explored by introducing prior knowledge in the network. This same strategy can also lead to more interpretable predictions, hence facilitating the field application of the approach. For that purpose, the aim of this paper is to propose the use of Physics-informed Denoising Autoencoders (PI-DAE) for missing data imputation in commercial buildings. In particular, the presented method enforces physics-inspired soft constraints to the loss function of a Denoising Autoencoder (DAE). In order to quantify the benefits of the physical component, an ablation study between different DAE configurations is conducted. First, three univariate DAEs are optimized separately on indoor air temperature, heating, and cooling data. Then, two multivariate DAEs are derived from the previous configurations. Eventually, a building thermal balance equation is coupled to the last multivariate configuration to obtain PI-DAE. Additionally, two commonly used benchmarks are employed to support the findings. It is shown how introducing physical knowledge in a multivariate Denoising Autoencoder can enhance the inherent model interpretability through the optimized physics-based coefficients. While no significant improvement is observed in terms of reconstruction error with the proposed PI-DAE, its enhanced robustness to varying rates of missing data and the valuable insights derived from the physics-based coefficients create opportunities for wider applications within building systems and the built environment.  ( 3 min )

In the evolving landscape of data science, the accurate quantification of clustering in high-dimensional data sets remains a significant challenge, especially in the absence of predefined labels. This paper introduces a novel approach, the Entropy of Distance Distribution (EDD), which represents a paradigm shift in label-free clustering analysis. Traditional methods, reliant on discrete labels, often struggle to discern intricate cluster patterns in unlabeled data. EDD, however, leverages the characteristic differences in pairwise point-to-point distances to discern clustering tendencies, independent of data labeling. Our method employs the Shannon information entropy to quantify the 'peakedness' or 'flatness' of distance distributions in a data set. This entropy measure, normalized against its maximum value, effectively distinguishes between strongly clustered data (indicated by pronounced peaks in distance distribution) and more homogeneous, non-clustered data sets. This label-free quantification is resilient against global translations and permutations of data points, and with an additional dimension-wise z-scoring, it becomes invariant to data set scaling. We demonstrate the efficacy of EDD through a series of experiments involving two-dimensional data spaces with Gaussian cluster centers. Our findings reveal a monotonic increase in the EDD value with the widening of cluster widths, moving from well-separated to overlapping clusters. This behavior underscores the method's sensitivity and accuracy in detecting varying degrees of clustering. EDD's potential extends beyond conventional clustering analysis, offering a robust, scalable tool for unraveling complex data structures without reliance on pre-assigned labels.  ( 2 min )

How to explain why RL is difficult to someone who knows nothing about it? I’ve been working on an RL project at work. The person who assigned it to me is a computer scientist who is not an expert on RL, but understands it’s a difficult problem. (My boss is on equal footing with the person who assigned the project to me. My boss is not a computer scientist and doesn’t know anything about RL.) This guys boss is a business manager who doesn’t know anything about RL and knows very little about ML. The business manager wants a report on how the project is going from me and I’m getting the sense that he doesn’t really understand why this is taking so long. For context, I’ve been working on this project for about 4 months for 15 hours per week. In that time, I’ve built an entire code base for the problem from scratch and programmed up several models. I have one that mostly works at the moment, but I need to make some changes to the reward functions to get it performing well consistently. I’m the only one working on this project, so I’ve done all of this myself. I also had only done vanilla RL prior to this, so I’ve had to learn a ton about deep RL to make this work. Luckily I know someone who’s an expert in deep RL (outside work) and has been able to give me pointers. I’m feeling like I’ve made a ton of progress and am nearing the home stretch in terms of having a completely polished model. However I’m getting the sense that this guy is not super thrilled with me. This guy doesn’t have any official authority over me, so this is mainly about trying to explain how much work RL is in addition to mg normal slides about the project and where I’m at. submitted by /u/savvyms [link] [comments]  ( 1 min )

For those of you who work with Transformers, are there any good pytorch libraries or performance benchmarks out there? Note that I am not looking for LLMs, I would just like implementations of the standard Transformer and various newer methods such as the Linear Transformer, Performer, Linformer, Reformer, etc. Ideally, I would like a library that also includes benchmarks, where various models can be compared in performance on simple to complex tasks. I would like to get into research in this space, but I don't know where to start. submitted by /u/Acciorocketships [link] [comments]  ( 1 min )

I work as a statistician in a big pharma company. Our department is filled with mid to senior level statisticians that have done more traditional statistics work for the majority of their careers. Everyone has at least an MS in statistics and 5 years of experience. People program almost entirely in SAS, but a few use R. We typically use GLMs, set up sampling plans and are responsible for planning and analyzing DoEs. Our department found extra money for training that we can have if we use it by the end of the year. I was looking for recommended training programs/certifications/coursework which would be good for this group of people that is recognized in the industry. I am looking for something that could provide an appropriate level of detail for modern machine learning techniques, as it seems the world is moving in that direction. Obviously, we're probably a bit behind in the software side, but can handle the math portions. Im hoping for outcomes anywhere between conversational to practitioner of the new techniques, depending on the level of work the statistician is willing to put into the coursework. submitted by /u/flapjaxrfun [link] [comments]  ( 1 min )

A new paper focuses on improving arithmetic skills in LLMs, primarily GPT-like models. There are three primary challenges faced by LLMs in arithmetic: Complex Calculations: LLMs struggle with intricate arithmetic, particularly involving large numbers, leading to difficulties in internal intermediate steps. Length Limitations: LLMs are limited to handling numbers within the range of their training data, restricting practicality. Integration with Language: Merging arithmetic and natural language data encounters obstacles due to differences in surface formats, causing position-dependent representations that conflict. To address these challenges, the article introduces techniques to enhance multiplication: Padding: Number factors are padded to a fixed 15-digit length, ensuring uniformity and position invariance. Reordering: The order of digits in the product is reversed to align with the natural progression of multiplication. The outcomes are impressive. In testing, their approach achieves 99% accuracy in calculating products for numbers up to 12 digits. Simply asking GPT-4 to multiple two 4-digit numbers has an accuracy of less than 1%, by comparison. To overcome length limitations, the paper explores data formats and positional encodings, including random spacing and alternative encodings. These innovations enable LLMs to generalize addition to handle additional digits. The article also addresses the integration of arithmetic and language data by randomizing formats and using alternative positional encodings, enabling effective data integration. TLDR: As the paper title says, positional description matters for transformer arithmetic. Full summary is here. Paper is here. submitted by /u/Successful-Western27 [link] [comments]  ( 1 min )

Paper: https://arxiv.org/abs/2311.16502 Blog: https://mmmu-benchmark.github.io/ Abstract: We introduce MMMU: a new benchmark designed to evaluate multimodal models on massive multi-discipline tasks demanding college-level subject knowledge and deliberate reasoning. MMMU includes 11.5K meticulously collected multimodal questions from college exams, quizzes, and textbooks, covering six core disciplines: Art & Design, Business, Science, Health & Medicine, Humanities & Social Science, and Tech & Engineering. These questions span 30 subjects and 183 subfields, comprising 30 highly heterogeneous image types, such as charts, diagrams, maps, tables, music sheets, and chemical structures. Unlike existing benchmarks, MMMU focuses on advanced perception and reasoning with domainspecific knowledge, challenging models to perform tasks akin to those faced by experts. Our evaluation of 14 open-source LMMs and the proprietary GPT-4V(ision) highlights the substantial challenges posed by MMMU. Even the advanced GPT-4V only achieves a 56% accuracy, indicating significant room for improvement. We believe MMMU will stimulate the community to build next-generation multimodal foundation models towards expert artificial general intelligence. https://preview.redd.it/0k2e074fbc3c1.jpg?width=1663&format=pjpg&auto=webp&s=03c5b80bbab288919bff3c7838f65ecb79cf8174 https://preview.redd.it/g646d94fbc3c1.jpg?width=1475&format=pjpg&auto=webp&s=65f5fa706e8295d4f296186ab7f082deb5968a6d https://preview.redd.it/ueftb64fbc3c1.jpg?width=1665&format=pjpg&auto=webp&s=e3a945765372dc3fc8ae2cb387a5c48b7c5d215b https://preview.redd.it/e10k3a4fbc3c1.jpg?width=1667&format=pjpg&auto=webp&s=cbb71e4030cdb6067dae4fe86baaf8403ff99ec8 submitted by /u/Singularian2501 [link] [comments]  ( 9 min )

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I have training data for 11 inputs and 2 outputs. Is there a library that can optimize the 11 inputs to minimize 1 output and maximize 1 output? submitted by /u/bsiegelwax [link] [comments]  ( 1 min )

Post: https://deepmind.google/discover/blog/millions-of-new-materials-discovered-with-deep-learning/ Paper: https://www.nature.com/articles/s41586-023-06735-9 Abstract: Novel functional materials enable fundamental breakthroughs across technological applications from clean energy to information processing. From microchips to batteries and photovoltaics, discovery of inorganic crystals has been bottlenecked by expensive trial-and-error approaches. Concurrently, deep-learning models for language, vision and biology have showcased emergent predictive capabilities with increasing data and computation. Here we show that graph networks trained at scale can reach unprecedented levels of generalization, improving the efficiency of materials discovery by an order of magnitude. Building on 48,000 stable crystals identified in continuing studies, improved efficiency enables the discovery of 2.2 million structures below the current convex hull, many of which escaped previous human chemical intuition. Our work represents an order-of-magnitude expansion in stable materials known to humanity. Stable discoveries that are on the final convex hull will be made available to screen for technological applications, as we demonstrate for layered materials and solid-electrolyte candidates. Of the stable structures, 736 have already been independently experimentally realized. The scale and diversity of hundreds of millions of first-principles calculations also unlock modelling capabilities for downstream applications, leading in particular to highly accurate and robust learned interatomic potentials that can be used in condensed-phase molecular-dynamics simulations and high-fidelity zero-shot prediction of ionic conductivity. submitted by /u/RobbinDeBank [link] [comments]  ( 9 min )

We benchmarked SD v1.5 on 23 consumer GPUs - To generate 460,000 fancy QR codes. The best performing GPU/backend combination delivered almost 20,000 images generated per dollar (512x512 resolution). You can read the full benchmark here: https://blog.salad.com/stable-diffusion-v1-5-benchmark/ Some key observations: Do not use the GTX series GPUs for production stable diffusion inference. Absolute performance and cost performance are dismal in the GTX series, and in many cases the benchmark could not be fully completed, with jobs repeatedly running out of CUDA memory. Additionally, many images generated on these GPUs came out all black, instead of as fancy QR codes as desired. There are very few surprises for which GPU is fastest for each backend. Newer GPUs with higher model numbers …  ( 1 min )

Images to triangles Say you have an image, which is the input ... You now need to output a set of n triangles that will most closely replicate it, where n is fixed. How will you go about this problem today Genetic Algos have kind of tackled this problem, but takes forever or converges easily to some picture ... I tried running some preliminary things here on Neat playground here .... https://jerryjohnthomas.github.io/30pieces/ Each triangle is something takes space and color ... So try to group pixels of same color as triangle ... Like a knn thing I think we could maybe do a much better job without cnns, adding a simplifying assumption say the image indeed is made of n triangles and exact replication is possible. Is there anything else you would try. submitted by /u/Existing-Pie-3723 [link] [comments]  ( 1 min )

i was listening to lex podcast on some stuff i study and wanted to ask, are there any good natural-enough sounding local text to voice models out there? i would very much like to use it to turn the text parts of a book into an audio where i could listen to it while reading. i used edge's tts for speech by giving a paragraph to clipboard and to edge-tts in order to listen the text but it causes two problems: 1. you need internet connection and have the book opened 2. can only do paragraph by paragraph, and is prone to errors or sometimes if you use it too much it wont convert the full text afterwards. the idea would be to turn a chapter of a book into an audio file and transfer it so that i could listen to it on my mobile phone on the fly. what is the status of offline models where they could afford to output an okay voice (or even be able to give the voice of a tutor from their lectures and train it)? submitted by /u/sweetchocolotepie [link] [comments]  ( 1 min )

I am currently doing a project for my feature engineering class, the aim of the project is to detect field boundaries or roads. So for the ground truth I have used image segmentation from matlab which has various tools such as flood fill and others to fill the fields black and making the roads white. As you can see in the second image which is the ground that I have drawn, it has a lot of noise. Our professor suggested us to use iPad to draw groundtruth images. Can anyone please suggest apps for me drawn the same exact groundtruth but without noise submitted by /u/Certain-Seesaw-2274 [link] [comments]  ( 1 min )

Hi, I'm looking for a paper that I remember seeing and forgot to save. The paper discusses taking a single input image, e.g. with a person, and then generating additional images with the same person in other contexts. I vaguely remember a demo image of taking a painting of a woman as the reference image, then inpainting that woman into an existing image of an astronaut. I did some research and break-a-scene is the closest to what I'm talking about. But break-a-scene talks about extracting multiple tokens from the source image and I think the paper I'm looking for only talks about a single subject. And the demo image isn't there. Here are a bunch of papers that I found that do similar things that I also don't think are what I saw: https://realfill.github.io/ https://github.com/garibida/cross-image-attention https://github.com/SUDO-AI-3D/zero123plus https://omriavrahami.com/the-chosen-one/ https://omriavrahami.com/break-a-scene/ https://github.com/TencentARC/CustomNet https://damo-vilab.github.io/AnyDoor-Page/ https://github.com/OPPO-Mente-Lab/Subject-Diffusion Lmk if you know of any other papers that handles this or a related task, thanks! submitted by /u/synapticpaint [link] [comments]  ( 1 min )

Paper: https://arxiv.org/abs/2309.10063 Abstract: Human consciousness has been a long-lasting mystery for centuries, while machine intelligence and consciousness is an arduous pursuit. Researchers have developed diverse theories for interpreting the consciousness phenomenon in human brains from different perspectives and levels. This paper surveys several main branches of consciousness theories originating from different subjects including information theory, quantum physics, cognitive psychology, physiology and computer science, with the aim of bridging these theories from a computational perspective. It also discusses the existing evaluation metrics of consciousness and possibility for current computational models to be conscious. Breaking the mystery of consciousness can be an essential step in building general artificial intelligence with computing machines. ​ submitted by /u/APaperADay [link] [comments]  ( 1 min )

Paper: https://arxiv.org/abs/2311.08430 Abstract: Neural Architecture Search (NAS) has demonstrated its efficacy in computer vision and potential for ranking systems. However, prior work focused on academic problems, which are evaluated at small scale under well-controlled fixed baselines. In industry system, such as ranking system in Meta, it is unclear whether NAS algorithms from the literature can outperform production baselines because of: (1) scale - Meta ranking systems serve billions of users, (2) strong baselines - the baselines are production models optimized by hundreds to thousands of world-class engineers for years since the rise of deep learning, (3) dynamic baselines - engineers may have established new and stronger baselines during NAS search, and (4) efficiency - the search pipeline must yield results quickly in alignment with the productionization life cycle. In this paper, we present Rankitect, a NAS software framework for ranking systems at Meta. Rankitect seeks to build brand new architectures by composing low level building blocks from scratch. Rankitect implements and improves state-of-the-art (SOTA) NAS methods for comprehensive and fair comparison under the same search space, including sampling-based NAS, one-shot NAS, and Differentiable NAS (DNAS). We evaluate Rankitect by comparing to multiple production ranking models at Meta. We find that Rankitect can discover new models from scratch achieving competitive tradeoff between Normalized Entropy loss and FLOPs. When utilizing search space designed by engineers, Rankitect can generate better models than engineers, achieving positive offline evaluation and online A/B test at Meta scale. https://preview.redd.it/n1l2fhle3b3c1.png?width=1360&format=png&auto=webp&s=772bbd4885bd87fb14461d76f8aca804b32fe1b8 submitted by /u/APaperADay [link] [comments]  ( 1 min )

Helloooo! I'm looking into the field of ML Systems, with a particular interest in executing deep learning tasks in environments with limited resources, such as commodity GPUs. Recently, I've noticed a significant focus on Large Language Models (LLMs) in contemporary research. However, I'm curious about other vital types of workloads in this domain. Could you please share your suggestions or insights on other meaningful ML/DL workloads that are crucial in resource-constrained settings? Your input would be greatly appreciated! submitted by /u/E-fazz [link] [comments]  ( 1 min )

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Did anyone read the new paper from NVIDIA called NVAutoNet and knows how did they get to the specified dimension of the feature maps? Because I tried to apply the operations from the table manually and don’t get the same result as the formula. Do they use any kind of padding or if anyone can explain how the operations are applied. Thank you. submitted by /u/Neat_Cucumber_3282 [link] [comments]  ( 1 min )

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I want to train a model for a musician based on piano covers they have recorded of popular songs and therefore own, but because of copyright infringement they still pay royalties to the writers of these songs. Curious if this is legal or not -- I would presume not since the recordings are not being monetized in this scenario but rather fed into a model, and the recordings are still owned 100% by the musician licensing them to me. submitted by /u/SuperwhizAJ [link] [comments]  ( 1 min )

I'm been playing around with methods such as prompt tuning and LoRA, which are parameter efficient as they only fine-tune a very small fraction (that is, 8.1GB, which is very minimal. Fine-tuning time reduction also isn't really a major advantage, with finetuning the same model reduced by 20ms per batch, from 210ms to 190ms. This begs the question - what really is the practical reason for the popularity of parameter-efficie…  ( 1 min )

Which Artistic or Technological companies /institutions /startup incubators etc can finance us/give us grants? Some insight's a bout this Open Sandbox project: - There would be two main divisions, Creative Generative AI focused projects (image/video/fashion/tattoos/etc) and Bard or Chatgpt guided /helped geekier projects. ​ - I would like "movable" sound-dampening folding screens tall as walls (these will be enough for starting)onsite. ​ - Some kind of poles with big wheels with a monitor stand for a screen connected to cloud computing or space for a laptop, (the screen holder can be easily changed for seated or standing PC use) and a collapsible chair that you can take on the base of the pole, maybe even outside. the pole has a battery inside for the pc with a plug. ​ - there are …  ( 1 min )

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​ https://reddit.com/link/186ylge/video/7r46uzdzec3c1/player ​ submitted by /u/ThatNoCodeGuy [link] [comments]  ( 1 min )

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I am obviously curious if there’s a correlation submitted by /u/BoomBapBiBimBop [link] [comments]  ( 1 min )

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I'm trying to understand how GPTs/LLMs work, on a conceptual level and using the correct terminology. Here's my understanding so far (please correct if I'm wrong): GPTs are pre-trained so that for any given input it spits out the statistically best matching output based on its training. It does this token by token, without "understanding" the output, just that this token is often followed by this other token. It gains this knowledge during its training, when the LLM was fed a large number of embeddings (ie its "knowledge"). A LLM can be fine-tuned after the training stage, which builds on its training data to become more accurate for a particular domain. This happens by feeding it domain-specific labelled data, and the model's parameters are modified to match the desired accuracy in the new data. Here's the bit I don't understand about "memory". Afaik, LLMs do not have long-term memory in the human sense (if I tell you I have a 6 year old son today, a year from now you would know little Billy is 7 years old). So how are these models able to answer related follow-up questions in the chat? eg "tell me a story" "make it shorter" ​ Is the application just passing the previous Q&A in the context window? Will the context window and number of tokens required just keep growing the longer the conversation proceeds? Are there architectures where the model queries some database ("select * from user_history") before answering? Is that what vector databases are used for? Or is there an architecture running a near-realtime fine-tuning of the model when the chat begins? Is that how those "speak with your PDF" apps work? Feel free to be technical - I'm a software engineer, but a noob at the AI stuff. ​ ​ submitted by /u/fartzilla21 [link] [comments]  ( 1 min )

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Chinese tech giant ByteDance has established a new division, named Flow, which will focus on artificial intelligence applications.[1] European tech is starting to bounce back — and AI is turbocharging the recovery. The continent is now home to more highly skilled professionals in the field than the US, according to new research by Atomico, a VC firm headquartered in the UK.[2] Pika, which is building AI tools to generate and edit videos, raises $55M.[3] OpenAI has hired Google’s Richard Ho as the head of hardware to lead the new division to help “influence roadmaps for hardware partners for data center networks, racks, and buildings.”[4] Sources: [1] https://www.yicaiglobal.com/news/chinas-bytedance-sets-up-new-division-focusing-on-ai-applications [2] https://thenextweb.com/news/european-ai-supporting-tech-sector-recovery [3] https://finance.yahoo.com/news/pika-labs-building-ai-tools-133710041.html [4] https://baxtel.com/news/openai-hires-google-s-richard-ho-to-head-new-hardware-department submitted by /u/Excellent-Target-847 [link] [comments]  ( 1 min )

Most AI startups are doomed because they lack defensibility and differentiation. Startups that simply glue together AI APIs and create UIs are not sustainable. Even if a startup has a better UI, competitors can easily copy it. The same logic applies to the underlying technology of AI models like ChatGPT. These models have no real moat and can be replicated by any large internet company. Building the best version of an AI model is also not sustainable because the technological frontier of the AI industry is constantly moving. The AI research community has more firepower and companies quickly adopt the global state-of-the-art. Lasting value in AI requires continuous innovation. Source : https://weightythoughts.com/p/most-ai-startups-are-doomed submitted by /u/NuseAI [link] [comments]

Hey people, sharing a video from my YT channel where I summarized the last 10 years of NLP research, from Word2Vec to RNNs to Transformers to LLMs to Human Alignment… here’s the link for those interested… https://youtu.be/uocYQH0cWTs submitted by /u/AvvYaa [link] [comments]  ( 1 min )

Artificial Intelligence (AI) is not a destructive force, but rather a tool that can enhance human intelligence and improve various aspects of life. The development and proliferation of AI is seen as a moral obligation and an opportunity to create a better world. However, there is currently a moral panic surrounding AI, fueled by irrational fears and exaggerated concerns. Historically, new technologies have often sparked moral panics, but these panics tend to be irrational and hinder progress. Some actors within the AI panic may have ulterior motives, using the panic to push for regulations and restrictions that benefit themselves. Approaching the conversation about AI with rationality and discernment is crucial to avoid falling into the trap of moral panic. Source : https://a16z.com/ai-will-save-the-world/ submitted by /u/NuseAI [link] [comments]  ( 1 min )

I would Like to use Dreamerv3 (pytorch) to train my environment. my custom environment is a vector-based gym environment.import numpy as npimport os, sys, globimport gymfrom hparams import HyperParams as hpfrom hparams import RobotFrame_Continuous_Datasets_Timestep_1 as data# from hparams import RobotFrame_Continuous_Datasets_Timestep_3 as data# from hparams import RobotFrameContinuousDatasetsTimestep_0_25 as data# from hparams import RobotFrameContinuousDatasetsTimestep_0_5 as dataimport syssys.path.append('./gsoc22-socnavenv')import randomimport socnavenvimport osimport torchdef discrete_to_continuous_action(action:int):"""Function to return a continuous space action for a given discrete action"""# Adjust the possible action values to be either -0.5, 0, 0.5 or 1move_dict = {0: -0.5, 1: 0…  ( 1 min )

Hello r/reinforcementlearning community, for our masters in product development we should implement and build a system (with real components), that is based on reinforcement learning. However, none of us have a profound understanding of RL, so we have not been able to train successfully so far, and unfortunately our professors can no longer help us and have encouraged us to ask for external help. Perhaps there is someone here who would like to take up the challenge :) We would be happy to receive new ideas or input on our code and how to proceed further. Project Overview: The agent should reach the top of the board (we like to call it cheeseboard) without falling into any holes. To support this task, he has two sensors diagonally above him on the left and right, which return whether or …

I am a little bit of a newbie with regards to High Performance Computing. Therefore, forgive me if my question seems too trivial. ​ I am thinking of applying multiprocessing to a CUDA RL program. Right now I am trying to train an environment that takes around 9 hours to train. I'd like to play around with the hyperparameters and a few other things. Therefore, I'd like to run 10 parallel runs of my model using the same GPU. Here is what I am taking care of, after Googling - GPU Size - I understand that my GPU should be large enough to take in data from 10 runs. GPU Year - Apparently older GPUs don't allow more than a single program accessing it. Is there something else that I am missing? My assumption is that if it takes 9 hours to run a single model, then through multiprocessing I can run 10 models in 9 hours, provided the above constraints are met. submitted by /u/Academic-Rent7800 [link] [comments]  ( 1 min )

Paper: https://arxiv.org/abs/2311.08430 Abstract: Neural Architecture Search (NAS) has demonstrated its efficacy in computer vision and potential for ranking systems. However, prior work focused on academic problems, which are evaluated at small scale under well-controlled fixed baselines. In industry system, such as ranking system in Meta, it is unclear whether NAS algorithms from the literature can outperform production baselines because of: (1) scale - Meta ranking systems serve billions of users, (2) strong baselines - the baselines are production models optimized by hundreds to thousands of world-class engineers for years since the rise of deep learning, (3) dynamic baselines - engineers may have established new and stronger baselines during NAS search, and (4) efficiency - the search pipeline must yield results quickly in alignment with the productionization life cycle. In this paper, we present Rankitect, a NAS software framework for ranking systems at Meta. Rankitect seeks to build brand new architectures by composing low level building blocks from scratch. Rankitect implements and improves state-of-the-art (SOTA) NAS methods for comprehensive and fair comparison under the same search space, including sampling-based NAS, one-shot NAS, and Differentiable NAS (DNAS). We evaluate Rankitect by comparing to multiple production ranking models at Meta. We find that Rankitect can discover new models from scratch achieving competitive tradeoff between Normalized Entropy loss and FLOPs. When utilizing search space designed by engineers, Rankitect can generate better models than engineers, achieving positive offline evaluation and online A/B test at Meta scale. https://preview.redd.it/mlceky7x7b3c1.png?width=1379&format=png&auto=webp&s=2acc4e0451db9fbf455b03f9e293e68cc61d25bf submitted by /u/APaperADay [link] [comments]  ( 1 min )

gridworld/cartpole.ipynb at main · bherwanisuraj/gridworld (github.com) Here is the link for my git repo. If someone can help would be best. submitted by /u/tlevelup [link] [comments]  ( 1 min )

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Rodney Brooks, co-founder of iRobot, kicks off an MIT symposium on the promise and potential pitfalls of increasingly powerful AI tools like ChatGPT.  ( 12 min )

Amazon SageMaker Studio provides a fully managed solution for data scientists to interactively build, train, and deploy machine learning (ML) models. Amazon SageMaker notebook jobs allow data scientists to run their notebooks on demand or on a schedule with a few clicks in SageMaker Studio. With this launch, you can programmatically run notebooks as jobs […]  ( 11 min )

The rapid growth of generative AI brings promising new innovation, and at the same time raises new challenges. These challenges include some that were common before generative AI, such as bias and explainability, and new ones unique to foundation models (FMs), including hallucination and toxicity. At AWS, we are committed to developing generative AI responsibly, […]  ( 9 min )

Since launching in June 2023, the AWS Generative AI Innovation Center team of strategists, data scientists, machine learning (ML) engineers, and solutions architects have worked with hundreds of customers worldwide, and helped them ideate, prioritize, and build bespoke solutions that harness the power of generative AI. Customers worked closely with us to prioritize use cases, […]  ( 4 min )

Mira Murati as CTO, Greg Brockman returns as President. Read messages from CEO Sam Altman and board chair Bret Taylor.  ( 5 min )

Microsoft Chief Scientific Officer Eric Horvitz explains how new prompting strategies can enable generalist large language models like GPT-4 to achieve exceptional expertise in specific domains, such as medicine, and outperform fine-tuned specialist models. The post The Power of Prompting appeared first on Microsoft Research.  ( 9 min )

It is common to model a deterministic response function, such as the output of a computer experiment, as a Gaussian process with a Mat\'ern covariance kernel. The smoothness parameter of a Mat\'ern kernel determines many important properties of the model in the large data limit, including the rate of convergence of the conditional mean to the response function. We prove that the maximum likelihood estimate of the smoothness parameter cannot asymptotically undersmooth the truth when the data are obtained on a fixed bounded subset of $\mathbb{R}^d$. That is, if the data-generating response function has Sobolev smoothness $\nu_0 > d/2$, then the smoothness parameter estimate cannot be asymptotically less than $\nu_0$. The lower bound is sharp. Additionally, we show that maximum likelihood estimation recovers the true smoothness for a class of compactly supported self-similar functions. For cross-validation we prove an asymptotic lower bound $\nu_0 - d/2$, which however is unlikely to be sharp. The results are based on approximation theory in Sobolev spaces and some general theorems that restrict the set of values that the parameter estimators can take.  ( 2 min )

The fixed-X knockoff filter is a flexible framework for variable selection with false discovery rate (FDR) control in linear models with arbitrary design matrices (of full column rank) and it allows for finite-sample selective inference via the Lasso estimates. In this paper, we extend the theory of the knockoff procedure to tests with composite null hypotheses, which are usually more relevant to real-world problems. The main technical challenge lies in handling composite nulls in tandem with dependent features from arbitrary designs. We develop two methods for composite inference with the knockoffs, namely, shifted ordinary least-squares (S-OLS) and feature-response product perturbation (FRPP), building on new structural properties of test statistics under composite nulls. We also propose two heuristic variants of S-OLS method that outperform the celebrated Benjamini-Hochberg (BH) procedure for composite nulls, which serves as a heuristic baseline under dependent test statistics. Finally, we analyze the loss in FDR when the original knockoff procedure is naively applied on composite tests.  ( 2 min )

Data valuation is a growing research field that studies the influence of individual data points for machine learning (ML) models. Data Shapley, inspired by cooperative game theory and economics, is an effective method for data valuation. However, it is well-known that the Shapley value (SV) can be computationally expensive. Fortunately, Jia et al. (2019) showed that for K-Nearest Neighbors (KNN) models, the computation of Data Shapley is surprisingly simple and efficient. In this note, we revisit the work of Jia et al. (2019) and propose a more natural and interpretable utility function that better reflects the performance of KNN models. We derive the corresponding calculation procedure for the Data Shapley of KNN classifiers/regressors with the new utility functions. Our new approach, dubbed soft-label KNN-SV, achieves the same time complexity as the original method. We further provide an efficient approximation algorithm for soft-label KNN-SV based on locality sensitive hashing (LSH). Our experimental results demonstrate that Soft-label KNN-SV outperforms the original method on most datasets in the task of mislabeled data detection, making it a better baseline for future work on data valuation.  ( 2 min )

While physics-informed neural networks (PINNs) have been proven effective for low-dimensional partial differential equations (PDEs), the computational cost remains a hurdle in high-dimensional scenarios. This is particularly pronounced when computing high-order and high-dimensional derivatives in the physics-informed loss. Randomized Smoothing PINN (RS-PINN) introduces Gaussian noise for stochastic smoothing of the original neural net model, enabling Monte Carlo methods for derivative approximation, eliminating the need for costly auto-differentiation. Despite its computational efficiency in high dimensions, RS-PINN introduces biases in both loss and gradients, negatively impacting convergence, especially when coupled with stochastic gradient descent (SGD). We present a comprehensive analysis of biases in RS-PINN, attributing them to the nonlinearity of the Mean Squared Error (MSE) loss and the PDE nonlinearity. We propose tailored bias correction techniques based on the order of PDE nonlinearity. The unbiased RS-PINN allows for a detailed examination of its pros and cons compared to the biased version. Specifically, the biased version has a lower variance and runs faster than the unbiased version, but it is less accurate due to the bias. To optimize the bias-variance trade-off, we combine the two approaches in a hybrid method that balances the rapid convergence of the biased version with the high accuracy of the unbiased version. In addition, we present an enhanced implementation of RS-PINN. Extensive experiments on diverse high-dimensional PDEs, including Fokker-Planck, HJB, viscous Burgers', Allen-Cahn, and Sine-Gordon equations, illustrate the bias-variance trade-off and highlight the effectiveness of the hybrid RS-PINN. Empirical guidelines are provided for selecting biased, unbiased, or hybrid versions, depending on the dimensionality and nonlinearity of the specific PDE problem.  ( 3 min )

In consequential domains, it is often impossible to compel individuals to take treatment, so that optimal policy rules are merely suggestions in the presence of human non-adherence to treatment recommendations. In these same domains, there may be heterogeneity both in who responds in taking-up treatment, and heterogeneity in treatment efficacy. While optimal treatment rules can maximize causal outcomes across the population, access parity constraints or other fairness considerations can be relevant in the case of encouragement. For example, in social services, a persistent puzzle is the gap in take-up of beneficial services among those who may benefit from them the most. When in addition the decision-maker has distributional preferences over both access and average outcomes, the optimal decision rule changes. We study causal identification, statistical variance-reduced estimation, and robust estimation of optimal treatment rules, including under potential violations of positivity. We consider fairness constraints such as demographic parity in treatment take-up, and other constraints, via constrained optimization. Our framework can be extended to handle algorithmic recommendations under an often-reasonable covariate-conditional exclusion restriction, using our robustness checks for lack of positivity in the recommendation. We develop a two-stage algorithm for solving over parametrized policy classes under general constraints to obtain variance-sensitive regret bounds. We illustrate the methods in two case studies based on data from randomized encouragement to enroll in insurance and from pretrial supervised release with electronic monitoring.  ( 2 min )

In many real-world applications, due to recent developments in the privacy landscape, training data may be aggregated to preserve the privacy of sensitive training labels. In the learning from label proportions (LLP) framework, the dataset is partitioned into bags of feature-vectors which are available only with the sum of the labels per bag. A further restriction, which we call learning from bag aggregates (LBA) is where instead of individual feature-vectors, only the (possibly weighted) sum of the feature-vectors per bag is available. We study whether such aggregation techniques can provide privacy guarantees under the notion of label differential privacy (label-DP) previously studied in for e.g. [Chaudhuri-Hsu'11, Ghazi et al.'21, Esfandiari et al.'22]. It is easily seen that naive LBA and LLP do not provide label-DP. Our main result however, shows that weighted LBA using iid Gaussian weights with $m$ randomly sampled disjoint $k$-sized bags is in fact $(\varepsilon, \delta)$-label-DP for any $\varepsilon > 0$ with $\delta \approx \exp(-\Omega(\sqrt{k}))$ assuming a lower bound on the linear-mse regression loss. Further, the $\ell_2^2$-regressor which minimizes the loss on the aggregated dataset has a loss within $\left(1 + o(1)\right)$-factor of the optimum on the original dataset w.p. $\approx 1 - exp(-\Omega(m))$. We emphasize that no additive label noise is required. The analogous weighted-LLP does not however admit label-DP. Nevertheless, we show that if additive $N(0, 1)$ noise can be added to any constant fraction of the instance labels, then the noisy weighted-LLP admits similar label-DP guarantees without assumptions on the dataset, while preserving the utility of Lipschitz-bounded neural mse-regression tasks. Our work is the first to demonstrate that label-DP can be achieved by randomly weighted aggregation for regression tasks, using no or little additive noise.  ( 3 min )

Data valuation aims to quantify the usefulness of individual data sources in training machine learning (ML) models, and is a critical aspect of data-centric ML research. However, data valuation faces significant yet frequently overlooked privacy challenges despite its importance. This paper studies these challenges with a focus on KNN-Shapley, one of the most practical data valuation methods nowadays. We first emphasize the inherent privacy risks of KNN-Shapley, and demonstrate the significant technical difficulties in adapting KNN-Shapley to accommodate differential privacy (DP). To overcome these challenges, we introduce TKNN-Shapley, a refined variant of KNN-Shapley that is privacy-friendly, allowing for straightforward modifications to incorporate DP guarantee (DP-TKNN-Shapley). We show that DP-TKNN-Shapley has several advantages and offers a superior privacy-utility tradeoff compared to naively privatized KNN-Shapley in discerning data quality. Moreover, even non-private TKNN-Shapley achieves comparable performance as KNN-Shapley. Overall, our findings suggest that TKNN-Shapley is a promising alternative to KNN-Shapley, particularly for real-world applications involving sensitive data.  ( 2 min )

The magnitude of a metric space was recently established as a novel invariant, providing a measure of the `effective size' of a space across multiple scales. By capturing both geometrical and topological properties of data, magnitude is poised to address challenges in unsupervised representation learning tasks. We formalise a novel notion of dissimilarity between magnitude functions of finite metric spaces and use them to derive a quality measure for dimensionality reduction tasks. Our measure is provably stable under perturbations of the data, can be efficiently calculated, and enables a rigorous multi-scale comparison of embeddings. We show the utility of our measure in an experimental suite that comprises different domains and tasks, including the comparison of data visualisations.  ( 2 min )

Motivated by applications in text mining and discrete distribution inference, we investigate the testing for equality of probability mass functions of $K$ groups of high-dimensional multinomial distributions. A test statistic, which is shown to have an asymptotic standard normal distribution under the null, is proposed. The optimal detection boundary is established, and the proposed test is shown to achieve this optimal detection boundary across the entire parameter space of interest. The proposed method is demonstrated in simulation studies and applied to analyze two real-world datasets to examine variation among consumer reviews of Amazon movies and diversity of statistical paper abstracts.  ( 2 min )

How can one analyze detailed 3D biological objects, such as neurons and botanical trees, that exhibit complex geometrical and topological variation? In this paper, we develop a novel mathematical framework for representing, comparing, and computing geodesic deformations between the shapes of such tree-like 3D objects. A hierarchical organization of subtrees characterizes these objects -- each subtree has the main branch with some side branches attached -- and one needs to match these structures across objects for meaningful comparisons. We propose a novel representation that extends the Square-Root Velocity Function (SRVF), initially developed for Euclidean curves, to tree-shaped 3D objects. We then define a new metric that quantifies the bending, stretching, and branch sliding needed to deform one tree-shaped object into the other. Compared to the current metrics, such as the Quotient Euclidean Distance (QED) and the Tree Edit Distance (TED), the proposed representation and metric capture the full elasticity of the branches (i.e., bending and stretching) as well as the topological variations (i.e., branch death/birth and sliding). It completely avoids the shrinkage that results from the edge collapse and node split operations of the QED and TED metrics. We demonstrate the utility of this framework in comparing, matching, and computing geodesics between biological objects such as neurons and botanical trees. The framework is also applied to various shape analysis tasks: (i) symmetry analysis and symmetrization of tree-shaped 3D objects, (ii) computing summary statistics (means and modes of variations) of populations of tree-shaped 3D objects, (iii) fitting parametric probability distributions to such populations, and (iv) finally synthesizing novel tree-shaped 3D objects through random sampling from estimated probability distributions.  ( 3 min )

Class imbalance (CI) in classification problems arises when the number of observations belonging to one class is lower than the other. Ensemble learning combines multiple models to obtain a robust model and has been prominently used with data augmentation methods to address class imbalance problems. In the last decade, a number of strategies have been added to enhance ensemble learning and data augmentation methods, along with new methods such as generative adversarial networks (GANs). A combination of these has been applied in many studies, and the evaluation of different combinations would enable a better understanding and guidance for different application domains. In this paper, we present a computational study to evaluate data augmentation and ensemble learning methods used to address prominent benchmark CI problems. We present a general framework that evaluates 9 data augmentation and 9 ensemble learning methods for CI problems. Our objective is to identify the most effective combination for improving classification performance on imbalanced datasets. The results indicate that combinations of data augmentation methods with ensemble learning can significantly improve classification performance on imbalanced datasets. We find that traditional data augmentation methods such as the synthetic minority oversampling technique (SMOTE) and random oversampling (ROS) are not only better in performance for selected CI problems, but also computationally less expensive than GANs. Our study is vital for the development of novel models for handling imbalanced datasets.  ( 3 min )

Weak supervision (WS) is a powerful method to build labeled datasets for training supervised models in the face of little-to-no labeled data. It replaces hand-labeling data with aggregating multiple noisy-but-cheap label estimates expressed by labeling functions (LFs). While it has been used successfully in many domains, weak supervision's application scope is limited by the difficulty of constructing labeling functions for domains with complex or high-dimensional features. To address this, a handful of methods have proposed automating the LF design process using a small set of ground truth labels. In this work, we introduce AutoWS-Bench-101: a framework for evaluating automated WS (AutoWS) techniques in challenging WS settings -- a set of diverse application domains on which it has been previously difficult or impossible to apply traditional WS techniques. While AutoWS is a promising direction toward expanding the application-scope of WS, the emergence of powerful methods such as zero-shot foundation models reveals the need to understand how AutoWS techniques compare or cooperate with modern zero-shot or few-shot learners. This informs the central question of AutoWS-Bench-101: given an initial set of 100 labels for each task, we ask whether a practitioner should use an AutoWS method to generate additional labels or use some simpler baseline, such as zero-shot predictions from a foundation model or supervised learning. We observe that in many settings, it is necessary for AutoWS methods to incorporate signal from foundation models if they are to outperform simple few-shot baselines, and AutoWS-Bench-101 promotes future research in this direction. We conclude with a thorough ablation study of AutoWS methods.  ( 3 min )

Although statistical learning theory provides a robust framework to understand supervised learning, many theoretical aspects of deep learning remain unclear, in particular how different architectures may lead to inductive bias when trained using gradient based methods. The goal of these lectures is to provide an overview of some of the main questions that arise when attempting to understand deep learning from a learning theory perspective. After a brief reminder on statistical learning theory and stochastic optimization, we discuss implicit bias in the context of benign overfitting. We then move to a general description of the mirror descent algorithm, showing how we may go back and forth between a parameter space and the corresponding function space for a given learning problem, as well as how the geometry of the learning problem may be represented by a metric tensor. Building on this framework, we provide a detailed study of the implicit bias of gradient descent on linear diagonal networks for various regression tasks, showing how the loss function, scale of parameters at initialization and depth of the network may lead to various forms of implicit bias, in particular transitioning between kernel or feature learning.  ( 2 min )

Score-based diffusion models have emerged as one of the most promising frameworks for deep generative modelling, due to their state-of-the art performance in many generation tasks while relying on mathematical foundations such as stochastic differential equations (SDEs) and ordinary differential equations (ODEs). Empirically, it has been reported that ODE based samples are inferior to SDE based samples. In this paper we rigorously describe the range of dynamics and approximations that arise when training score-based diffusion models, including the true SDE dynamics, the neural approximations, the various approximate particle dynamics that result, as well as their associated Fokker--Planck equations and the neural network approximations of these Fokker--Planck equations. We systematically analyse the difference between the ODE and SDE dynamics of score-based diffusion models, and link it to an associated Fokker--Planck equation. We derive a theoretical upper bound on the Wasserstein 2-distance between the ODE- and SDE-induced distributions in terms of a Fokker--Planck residual. We also show numerically that conventional score-based diffusion models can exhibit significant differences between ODE- and SDE-induced distributions which we demonstrate using explicit comparisons. Moreover, we show numerically that reducing the Fokker--Planck residual by adding it as an additional regularisation term leads to closing the gap between ODE- and SDE-induced distributions. Our experiments suggest that this regularisation can improve the distribution generated by the ODE, however that this can come at the cost of degraded SDE sample quality.  ( 3 min )

In the multi-armed bandit framework, there are two formulations that are commonly employed to handle time-varying reward distributions: adversarial bandit and nonstationary bandit. Although their oracles, algorithms, and regret analysis differ significantly, we provide a unified formulation in this paper that smoothly bridges the two as special cases. The formulation uses an oracle that takes the best-fixed arm within time windows. Depending on the window size, it turns into the oracle in hindsight in the adversarial bandit and dynamic oracle in the nonstationary bandit. We provide algorithms that attain the optimal regret with the matching lower bound.  ( 2 min )

This paper considers a multi-environment linear regression model in which data from multiple experimental settings are collected. The joint distribution of the response variable and covariates may vary across different environments, yet the conditional expectations of $y$ given the unknown set of important variables are invariant. Such a statistical model is related to the problem of endogeneity, causal inference, and transfer learning. The motivation behind it is illustrated by how the goals of prediction and attribution are inherent in estimating the true parameter and the important variable set. We construct a novel environment invariant linear least squares (EILLS) objective function, a multi-environment version of linear least-squares regression that leverages the above conditional expectation invariance structure and heterogeneity among different environments to determine the true parameter. Our proposed method is applicable without any additional structural knowledge and can identify the true parameter under a near-minimal identification condition. We establish non-asymptotic $\ell_2$ error bounds on the estimation error for the EILLS estimator in the presence of spurious variables. Moreover, we further show that the $\ell_0$ penalized EILLS estimator can achieve variable selection consistency in high-dimensional regimes. These non-asymptotic results demonstrate the sample efficiency of the EILLS estimator and its capability to circumvent the curse of endogeneity in an algorithmic manner without any prior structural knowledge. To the best of our knowledge, this paper is the first to realize statistically efficient invariance learning in the general linear model.  ( 3 min )

In our previously published work, we introduced a supervised deep learning method for event detection in multivariate time series data, employing regression instead of binary classification. This simplification avoids the need for point-wise labels throughout the entire dataset, relying solely on ground truth events defined as time points or intervals. In this paper, we establish mathematically that our method is universal, and capable of detecting any type of event with arbitrary precision under mild continuity assumptions on the time series. These events may encompass change points, frauds, anomalies, physical occurrences, and more. We substantiate our theoretical results using the universal approximation theorem for feed-forward neural networks (FFN). Additionally, we provide empirical validations that confirm our claims, demonstrating that our method, with a limited number of parameters, outperforms other deep learning approaches, particularly for rare events and imbalanced datasets from different domains.  ( 2 min )

Although gradient descent with momentum is widely used in modern deep learning, a concrete understanding of its effects on the training trajectory still remains elusive. In this work, we empirically show that momentum gradient descent with a large learning rate and learning rate warmup displays large catapults, driving the iterates towards flatter minima than those found by gradient descent. We then provide empirical evidence and theoretical intuition that the large catapult is caused by momentum "amplifying" the self-stabilization effect (Damian et al., 2023).  ( 2 min )

The exploration-exploitation dilemma has been a central challenge in reinforcement learning (RL) with complex model classes. In this paper, we propose a new algorithm, Monotonic Q-Learning with Upper Confidence Bound (MQL-UCB) for RL with general function approximation. Our key algorithmic design includes (1) a general deterministic policy-switching strategy that achieves low switching cost, (2) a monotonic value function structure with carefully controlled function class complexity, and (3) a variance-weighted regression scheme that exploits historical trajectories with high data efficiency. MQL-UCB achieves minimax optimal regret of $\tilde{O}(d\sqrt{HK})$ when $K$ is sufficiently large and near-optimal policy switching cost of $\tilde{O}(dH)$, with $d$ being the eluder dimension of the function class, $H$ being the planning horizon, and $K$ being the number of episodes. Our work sheds light on designing provably sample-efficient and deployment-efficient Q-learning with nonlinear function approximation.  ( 2 min )

Constrained optimization of the parameters of a simulator plays a crucial role in a design process. These problems become challenging when the simulator is stochastic, computationally expensive, and the parameter space is high-dimensional. One can efficiently perform optimization only by utilizing the gradient with respect to the parameters, but these gradients are unavailable in many legacy, black-box codes. We introduce the algorithm Scout-Nd (Stochastic Constrained Optimization for N dimensions) to tackle the issues mentioned earlier by efficiently estimating the gradient, reducing the noise of the gradient estimator, and applying multi-fidelity schemes to further reduce computational effort. We validate our approach on standard benchmarks, demonstrating its effectiveness in optimizing parameters highlighting better performance compared to existing methods.  ( 2 min )

Behavioral experiments on the trust game have shown that trust and trustworthiness are universal among human beings, contradicting the prediction by assuming \emph{Homo economicus} in orthodox Economics. This means some mechanism must be at work that favors their emergence. Most previous explanations however need to resort to some factors based upon imitative learning, a simple version of social learning. Here, we turn to the paradigm of reinforcement learning, where individuals update their strategies by evaluating the long-term return through accumulated experience. Specifically, we investigate the trust game with the Q-learning algorithm, where each participant is associated with two evolving Q-tables that guide one's decision making as trustor and trustee respectively. In the pairwise scenario, we reveal that high levels of trust and trustworthiness emerge when individuals appreciate both their historical experience and returns in the future. Mechanistically, the evolution of the Q-tables shows a crossover that resembles human's psychological changes. We also provide the phase diagram for the game parameters, where the boundary analysis is conducted. These findings are robust when the scenario is extended to a latticed population. Our results thus provide a natural explanation for the emergence of trust and trustworthiness without external factors involved. More importantly, the proposed paradigm shows the potential in deciphering many puzzles in human behaviors.  ( 3 min )

Energy-based models are a simple yet powerful class of probabilistic models, but their widespread adoption has been limited by the computational burden of training them. We propose a novel loss function called Energy Discrepancy (ED) which does not rely on the computation of scores or expensive Markov chain Monte Carlo. We show that ED approaches the explicit score matching and negative log-likelihood loss under different limits, effectively interpolating between both. Consequently, minimum ED estimation overcomes the problem of nearsightedness encountered in score-based estimation methods, while also enjoying theoretical guarantees. Through numerical experiments, we demonstrate that ED learns low-dimensional data distributions faster and more accurately than explicit score matching or contrastive divergence. For high-dimensional image data, we describe how the manifold hypothesis puts limitations on our approach and demonstrate the effectiveness of energy discrepancy by training the energy-based model as a prior of a variational decoder model.  ( 2 min )

Utility-Based Shortfall Risk (UBSR) is a risk metric that is increasingly popular in financial applications, owing to certain desirable properties that it enjoys. We consider the problem of estimating UBSR in a recursive setting, where samples from the underlying loss distribution are available one-at-a-time. We cast the UBSR estimation problem as a root finding problem, and propose stochastic approximation-based estimations schemes. We derive non-asymptotic bounds on the estimation error in the number of samples. We also consider the problem of UBSR optimization within a parameterized class of random variables. We propose a stochastic gradient descent based algorithm for UBSR optimization, and derive non-asymptotic bounds on its convergence.  ( 2 min )

In a high-dimensional regression framework, we study consequences of the naive two-step procedure where first the dimension of the input variables is reduced and second, the reduced input variables are used to predict the output variable with kernel regression. In order to analyze the resulting regression errors, a novel stability result for kernel regression with respect to the Wasserstein distance is derived. This allows us to bound errors that occur when perturbed input data is used to fit the regression function. We apply the general stability result to principal component analysis (PCA). Exploiting known estimates from the literature on both principal component analysis and kernel regression, we deduce convergence rates for the two-step procedure. The latter turns out to be particularly useful in a semi-supervised setting.  ( 2 min )

This study proposes the first Bayesian approach for learning high-dimensional linear Bayesian networks. The proposed approach iteratively estimates each element of the topological ordering from backward and its parent using the inverse of a partial covariance matrix. The proposed method successfully recovers the underlying structure when Bayesian regularization for the inverse covariance matrix with unequal shrinkage is applied. Specifically, it shows that the number of samples $n = \Omega( d_M^2 \log p)$ and $n = \Omega(d_M^2 p^{2/m})$ are sufficient for the proposed algorithm to learn linear Bayesian networks with sub-Gaussian and 4m-th bounded-moment error distributions, respectively, where $p$ is the number of nodes and $d_M$ is the maximum degree of the moralized graph. The theoretical findings are supported by extensive simulation studies including real data analysis. Furthermore the proposed method is demonstrated to outperform state-of-the-art frequentist approaches, such as the BHLSM, LISTEN, and TD algorithms in synthetic data.  ( 2 min )

Constructing nonasymptotic confidence intervals (CIs) for the mean of a univariate distribution from independent and identically distributed (i.i.d.) observations is a fundamental task in statistics. For bounded observations, a classical nonparametric approach proceeds by inverting standard concentration bounds, such as Hoeffding's or Bernstein's inequalities. Recently, an alternative betting-based approach for defining CIs and their time-uniform variants called confidence sequences (CSs), has been shown to be empirically superior to the classical methods. In this paper, we provide theoretical justification for this improved empirical performance of betting CIs and CSs. Our main contributions are as follows: (i) We first compare CIs using the values of their first-order asymptotic widths (scaled by $\sqrt{n}$), and show that the betting CI of Waudby-Smith and Ramdas (2023) has a smaller limiting width than existing empirical Bernstein (EB)-CIs. (ii) Next, we establish two lower bounds that characterize the minimum width achievable by any method for constructing CIs/CSs in terms of certain inverse information projections. (iii) Finally, we show that the betting CI and CS match the fundamental limits, modulo an additive logarithmic term and a multiplicative constant. Overall these results imply that the betting CI~(and CS) admit stronger theoretical guarantees than the existing state-of-the-art EB-CI~(and CS); both in the asymptotic and finite-sample regimes.  ( 2 min )

We study the notion of a generalization bound being uniformly tight, meaning that the difference between the bound and the population loss is small for all learning algorithms and all population distributions. Numerous generalization bounds have been proposed in the literature as potential explanations for the ability of neural networks to generalize in the overparameterized setting. However, in their paper ``Fantastic Generalization Measures and Where to Find Them,'' Jiang et al. (2020) examine more than a dozen generalization bounds, and show empirically that none of them are uniformly tight. This raises the question of whether uniformly-tight generalization bounds are at all possible in the overparameterized setting. We consider two types of generalization bounds: (1) bounds that may depend on the training set and the learned hypothesis (e.g., margin bounds). We prove mathematically that no such bound can be uniformly tight in the overparameterized setting; (2) bounds that may in addition also depend on the learning algorithm (e.g., stability bounds). For these bounds, we show a trade-off between the algorithm's performance and the bound's tightness. Namely, if the algorithm achieves good accuracy on certain distributions, then no generalization bound can be uniformly tight for it in the overparameterized setting. We explain how these formal results can, in our view, inform research on generalization bounds for neural networks, while stressing that other interpretations of these results are also possible.  ( 3 min )

Data augmentation is a widely used technique and an essential ingredient in the recent advance in self-supervised representation learning. By preserving the similarity between augmented data, the resulting data representation can improve various downstream analyses and achieve state-of-the-art performance in many applications. Despite the empirical effectiveness, most existing methods lack theoretical understanding under a general nonlinear setting. To fill this gap, we develop a statistical framework on a low-dimension product manifold to model the data augmentation transformation. Under this framework, we introduce a new representation learning method called augmentation invariant manifold learning and design a computationally efficient algorithm by reformulating it as a stochastic optimization problem. Compared with existing self-supervised methods, the new method simultaneously exploits the manifold's geometric structure and invariant property of augmented data and has an explicit theoretical guarantee. Our theoretical investigation characterizes the role of data augmentation in the proposed method and reveals why and how the data representation learned from augmented data can improve the $k$-nearest neighbor classifier in the downstream analysis, showing that a more complex data augmentation leads to more improvement in downstream analysis. Finally, numerical experiments on simulated and real datasets are presented to demonstrate the merit of the proposed method.  ( 2 min )

Deep Neural Networks (DNNs) have performed admirably in classification tasks. However, the characterization of their classification uncertainties, required for certain applications, has been lacking. In this work, we investigate the issue by assessing DNNs' ability to estimate conditional probabilities and propose a framework for systematic uncertainty characterization. Denoting the input sample as x and the category as y, the classification task of assigning a category y to a given input x can be reduced to the task of estimating the conditional probabilities p(y|x), as approximated by the DNN at its last layer using the softmax function. Since softmax yields a vector whose elements all fall in the interval (0, 1) and sum to 1, it suggests a probabilistic interpretation to the DNN's outcome. Using synthetic and real-world datasets, we look into the impact of various factors, e.g., probability density f(x) and inter-categorical sparsity, on the precision of DNNs' estimations of p(y|x), and find that the likelihood probability density and the inter-categorical sparsity have greater impacts than the prior probability to DNNs' classification uncertainty.

Unobserved confounding is common in many applications, making causal inference from observational data challenging. As a remedy, causal sensitivity analysis is an important tool to draw causal conclusions under unobserved confounding with mathematical guarantees. In this paper, we propose NeuralCSA, a neural framework for generalized causal sensitivity analysis. Unlike previous work, our framework is compatible with (i) a large class of sensitivity models, including the marginal sensitivity model, f-sensitivity models, and Rosenbaum's sensitivity model; (ii) different treatment types (i.e., binary and continuous); and (iii) different causal queries, including (conditional) average treatment effects and simultaneous effects on multiple outcomes. The generality of \frameworkname is achieved by learning a latent distribution shift that corresponds to a treatment intervention using two conditional normalizing flows. We provide theoretical guarantees that NeuralCSA is able to infer valid bounds on the causal query of interest and also demonstrate this empirically using both simulated and real-world data.  ( 2 min )

Generative model-based deep clustering frameworks excel in classifying complex data, but are limited in handling dynamic and complex features because they require prior knowledge of the number of clusters. In this paper, we propose a nonparametric deep clustering framework that employs an infinite mixture of Gaussians as a prior. Our framework utilizes a memoized online variational inference method that enables the "birth" and "merge" moves of clusters, allowing our framework to cluster data in a "dynamic-adaptive" manner, without requiring prior knowledge of the number of features. We name the framework as DIVA, a Dirichlet Process-based Incremental deep clustering framework via Variational Auto-Encoder. Our framework, which outperforms state-of-the-art baselines, exhibits superior performance in classifying complex data with dynamically changing features, particularly in the case of incremental features. We released our source code implementation at: https://github.com/Ghiara/diva

Standard regularized training procedures correspond to maximizing a posterior distribution over parameters, known as maximum a posteriori (MAP) estimation. However, model parameters are of interest only insomuch as they combine with the functional form of a model to provide a function that can make good predictions. Moreover, the most likely parameters under the parameter posterior do not generally correspond to the most likely function induced by the parameter posterior. In fact, we can re-parametrize a model such that any setting of parameters can maximize the parameter posterior. As an alternative, we investigate the benefits and drawbacks of directly estimating the most likely function implied by the model and the data. We show that this procedure leads to pathological solutions when using neural networks and prove conditions under which the procedure is well-behaved, as well as a scalable approximation. Under these conditions, we find that function-space MAP estimation can lead to flatter minima, better generalization, and improved robustness to overfitting.  ( 2 min )

Density power divergence (DPD) is designed to robustly estimate the underlying distribution of observations, in the presence of outliers. However, DPD involves an integral of the power of the parametric density models to be estimated; the explicit form of the integral term can be derived only for specific densities, such as normal and exponential densities. While we may perform a numerical integration for each iteration of the optimization algorithms, the computational complexity has hindered the practical application of DPD-based estimation to more general parametric densities. To address the issue, this study introduces a stochastic approach to minimize DPD for general parametric density models. The proposed approach also can be employed to minimize other density power-based $\gamma$-divergences, by leveraging unnormalized models.  ( 2 min )

We provide a new algorithmic framework for differentially private estimation of general functions that adapts to the hardness of the underlying dataset. We build upon previous work that gives a paradigm for selecting an output through the exponential mechanism based upon closeness of the inverse to the underlying dataset, termed the inverse sensitivity mechanism. Our framework will slightly modify the closeness metric and instead give a simple and efficient application of the sparse vector technique. While the inverse sensitivity mechanism was shown to be instance optimal, it was only with respect to a class of unbiased mechanisms such that the most likely outcome matches the underlying data. We break this assumption in order to more naturally navigate the bias-variance tradeoff, which will also critically allow for extending our method to unbounded data. In consideration of this tradeoff, we provide strong intuition and empirical validation that our technique will be particularly effective when the distances to the underlying dataset are asymmetric. This asymmetry is inherent to a range of important problems including fundamental statistics such as variance, as well as commonly used machine learning performance metrics for both classification and regression tasks. We efficiently instantiate our method in $O(n)$ time for these problems and empirically show that our techniques will give substantially improved differentially private estimations.  ( 2 min )

In this paper, we first study the fundamental limit of clustering networks when a multi-layer network is present. Under the mixture multi-layer stochastic block model (MMSBM), we show that the minimax optimal network clustering error rate, which takes an exponential form and is characterized by the Renyi divergence between the edge probability distributions of the component networks. We propose a novel two-stage network clustering method including a tensor-based initialization algorithm involving both node and sample splitting and a refinement procedure by likelihood-based Lloyd algorithm. Network clustering must be accompanied by node community detection. Our proposed algorithm achieves the minimax optimal network clustering error rate and allows extreme network sparsity under MMSBM. Numerical simulations and real data experiments both validate that our method outperforms existing methods. Oftentimes, the edges of networks carry count-type weights. We then extend our methodology and analysis framework to study the minimax optimal clustering error rate for mixture of discrete distributions including Binomial, Poisson, and multi-layer Poisson networks. The minimax optimal clustering error rates in these discrete mixtures all take the same exponential form characterized by the Renyi divergences. These optimal clustering error rates in discrete mixtures can also be achieved by our proposed two-stage clustering algorithm.  ( 2 min )

We consider the problem of sequential change detection, where the goal is to design a scheme for detecting any changes in a parameter or functional $\theta$ of the data stream distribution that has small detection delay, but guarantees control on the frequency of false alarms in the absence of changes. In this paper, we describe a simple reduction from sequential change detection to sequential estimation using confidence sequences: we begin a new $(1-\alpha)$-confidence sequence at each time step, and proclaim a change when the intersection of all active confidence sequences becomes empty. We prove that the average run length is at least $1/\alpha$, resulting in a change detection scheme with minimal structural assumptions~(thus allowing for possibly dependent observations, and nonparametric distribution classes), but strong guarantees. Our approach bears an interesting parallel with the reduction from change detection to sequential testing of Lorden (1971) and the e-detector of Shin et al. (2022).  ( 2 min )

We study the long time behavior of an underdamped mean-field Langevin (MFL) equation, and provide a general convergence as well as an exponential convergence rate result under different conditions. The results on the MFL equation can be applied to study the convergence of the Hamiltonian gradient descent algorithm for the overparametrized optimization. We then provide a numerical example of the algorithm to train a generative adversarial networks (GAN).  ( 2 min )

A key challenge of modern machine learning systems is to achieve Out-of-Distribution (OOD) generalization -- generalizing to target data whose distribution differs from that of source data. Despite its significant importance, the fundamental question of ``what are the most effective algorithms for OOD generalization'' remains open even under the standard setting of covariate shift. This paper addresses this fundamental question by proving that, surprisingly, classical Maximum Likelihood Estimation (MLE) purely using source data (without any modification) achieves the minimax optimality for covariate shift under the well-specified setting. That is, no algorithm performs better than MLE in this setting (up to a constant factor), justifying MLE is all you need. Our result holds for a very rich class of parametric models, and does not require any boundedness condition on the density ratio. We illustrate the wide applicability of our framework by instantiating it to three concrete examples -- linear regression, logistic regression, and phase retrieval. This paper further complement the study by proving that, under the misspecified setting, MLE is no longer the optimal choice, whereas Maximum Weighted Likelihood Estimator (MWLE) emerges as minimax optimal in certain scenarios.

Real-life applications of deep neural networks are hindered by their unsteady predictions when faced with noisy inputs and adversarial attacks. The certified radius is in this context a crucial indicator of the robustness of models. However how to design an efficient classifier with a sufficient certified radius? Randomized smoothing provides a promising framework by relying on noise injection in inputs to obtain a smoothed and more robust classifier. In this paper, we first show that the variance introduced by randomized smoothing closely interacts with two other important properties of the classifier, \textit{i.e.} its Lipschitz constant and margin. More precisely, our work emphasizes the dual impact of the Lipschitz constant of the base classifier, on both the smoothed classifier and the empirical variance. Moreover, to increase the certified robust radius, we introduce a different simplex projection technique for the base classifier to leverage the variance-margin trade-off thanks to Bernstein's concentration inequality, along with an enhanced Lipschitz bound. Experimental results show a significant improvement in certified accuracy compared to current state-of-the-art methods. Our novel certification procedure allows us to use pre-trained models that are used with randomized smoothing, effectively improving the current certification radius in a zero-shot manner.

Counterfactuals can offer valuable insights by answering what would have been observed under altered circumstances, conditional on a factual observation. Whereas the classical interventional interpretation of counterfactuals has been studied extensively, backtracking constitutes a less studied alternative the backtracking principle has emerged as an alternative philosophy where all causal laws are kept intact. In the present work, we introduce a practical method for computing backtracking counterfactuals in structural causal models that consist of deep generative components. To this end, we impose conditions on the structural assignments that enable the generation of counterfactuals by solving a tractable constrained optimization problem in the structured latent space of a causal model. Our formulation also facilitates a comparison with methods in the field of counterfactual explanations. Compared to these, our method represents a versatile, modular and causally compliant alternative. We demonstrate these properties experimentally on a modified version of MNIST and CelebA.  ( 2 min )

We consider the gradient descent flow widely used for the minimization of the $\mathcal{L}^2$ cost function in Deep Learning networks, and introduce two modified versions; one adapted for the overparametrized setting, and the other for the underparametrized setting. Both have a clear and natural invariant geometric meaning, taking into account the pullback vector bundle structure in the overparametrized, and the pushforward vector bundle structure in the underparametrized setting. In the overparametrized case, we prove that, provided that a rank condition holds, all orbits of the modified gradient descent drive the $\mathcal{L}^2$ cost to its global minimum at a uniform exponential convergence rate. We point out relations of the latter to sub-Riemannian geometry.  ( 2 min )

Structural and Positional Encodings can significantly improve the performance of Graph Neural Networks in downstream tasks. Recent literature has begun to systematically investigate differences in the structural properties that these approaches encode, as well as performance trade-offs between them. However, the question of which structural properties yield the most effective encoding remains open. In this paper, we investigate this question from a geometric perspective. We propose a novel structural encoding based on discrete Ricci curvature (Local Curvature Profiles, short LCP) and show that it significantly outperforms existing encoding approaches. We further show that combining local structural encodings, such as LCP, with global positional encodings improves downstream performance, suggesting that they capture complementary geometric information. Finally, we compare different encoding types with (curvature-based) rewiring techniques. Rewiring has recently received a surge of interest due to its ability to improve the performance of Graph Neural Networks by mitigating over-smoothing and over-squashing effects. Our results suggest that utilizing curvature information for structural encodings delivers significantly larger performance increases than rewiring.  ( 2 min )

Effectively modeling phenomena present in highly nonlinear dynamical systems whilst also accurately quantifying uncertainty is a challenging task, which often requires problem-specific techniques. We outline the deep latent force model (DLFM), a domain-agnostic approach to tackling this problem, which consists of a deep Gaussian process architecture where the kernel at each layer is derived from an ordinary differential equation using the framework of process convolutions. Two distinct formulations of the DLFM are presented which utilise weight-space and variational inducing points-based Gaussian process approximations, both of which are amenable to doubly stochastic variational inference. We provide evidence that our model is capable of capturing highly nonlinear behaviour in real-world multivariate time series data. In addition, we find that our approach achieves comparable performance to a number of other probabilistic models on benchmark regression tasks. We also empirically assess the negative impact of the inducing points framework on the extrapolation capabilities of LFM-based models.  ( 2 min )

This paper explores the application of Machine Learning (ML) and Natural Language Processing (NLP) techniques in cryptocurrency price forecasting, specifically Bitcoin (BTC) and Ethereum (ETH). Focusing on news and social media data, primarily from Twitter and Reddit, we analyse the influence of public sentiment on cryptocurrency valuations using advanced deep learning NLP methods. Alongside conventional price regression, we treat cryptocurrency price forecasting as a classification problem. This includes both the prediction of price movements (up or down) and the identification of local extrema. We compare the performance of various ML models, both with and without NLP data integration. Our findings reveal that incorporating NLP data significantly enhances the forecasting performance of our models. We discover that pre-trained models, such as Twitter-RoBERTa and BART MNLI, are highly effective in capturing market sentiment, and that fine-tuning Large Language Models (LLMs) also yields substantial forecasting improvements. Notably, the BART MNLI zero-shot classification model shows considerable proficiency in extracting bullish and bearish signals from textual data. All of our models consistently generate profit across different validation scenarios, with no observed decline in profits or reduction in the impact of NLP data over time. The study highlights the potential of text analysis in improving financial forecasts and demonstrates the effectiveness of various NLP techniques in capturing nuanced market sentiment.  ( 2 min )

Despite the large research effort devoted to learning dependencies between time series, the state of the art still faces a major limitation: existing methods learn partial correlations but fail to discriminate across distinct frequency bands. Motivated by many applications in which this differentiation is pivotal, we overcome this limitation by learning a block-sparse, frequency-dependent, partial correlation graph, in which layers correspond to different frequency bands, and partial correlations can occur over just a few layers. To this aim, we formulate and solve two nonconvex learning problems: the first has a closed-form solution and is suitable when there is prior knowledge about the number of partial correlations; the second hinges on an iterative solution based on successive convex approximation, and is effective for the general case where no prior knowledge is available. Numerical results on synthetic data show that the proposed methods outperform the current state of the art. Finally, the analysis of financial time series confirms that partial correlations exist only within a few frequency bands, underscoring how our methods enable the gaining of valuable insights that would be undetected without discriminating along the frequency domain.  ( 2 min )

Constrained clustering allows the training of classification models using pairwise constraints only, which are weak and relatively easy to mine, while still yielding full-supervision-level model performance. While they perform well even in the absence of the true underlying class labels, constrained clustering models still require large amounts of binary constraint annotations for training. In this paper, we propose a semi-supervised context whereby a large amount of \textit{unconstrained} data is available alongside a smaller set of constraints, and propose \textit{ConstraintMatch} to leverage such unconstrained data. While a great deal of progress has been made in semi-supervised learning using full labels, there are a number of challenges that prevent a naive application of the resulting methods in the constraint-based label setting. Therefore, we reason about and analyze these challenges, specifically 1) proposing a \textit{pseudo-constraining} mechanism to overcome the confirmation bias, a major weakness of pseudo-labeling, 2) developing new methods for pseudo-labeling towards the selection of \textit{informative} unconstrained samples, 3) showing that this also allows the use of pairwise loss functions for the initial and auxiliary losses which facilitates semi-constrained model training. In extensive experiments, we demonstrate the effectiveness of ConstraintMatch over relevant baselines in both the regular clustering and overclustering scenarios on five challenging benchmarks and provide analyses of its several components.  ( 2 min )

The well-established practice of time series analysis involves estimating deterministic, non-stationary trend and seasonality components followed by learning the residual stochastic, stationary components. Recently, it has been shown that one can learn the deterministic non-stationary components accurately using multivariate Singular Spectrum Analysis (mSSA) in the absence of a correlated stationary component; meanwhile, in the absence of deterministic non-stationary components, the Autoregressive (AR) stationary component can also be learnt readily, e.g. via Ordinary Least Squares (OLS). However, a theoretical underpinning of multi-stage learning algorithms involving both deterministic and stationary components has been absent in the literature despite its pervasiveness. We resolve this open question by establishing desirable theoretical guarantees for a natural two-stage algorithm, where mSSA is first applied to estimate the non-stationary components despite the presence of a correlated stationary AR component, which is subsequently learned from the residual time series. We provide a finite-sample forecasting consistency bound for the proposed algorithm, SAMoSSA, which is data-driven and thus requires minimal parameter tuning. To establish theoretical guarantees, we overcome three hurdles: (i) we characterize the spectra of Page matrices of stable AR processes, thus extending the analysis of mSSA; (ii) we extend the analysis of AR process identification in the presence of arbitrary bounded perturbations; (iii) we characterize the out-of-sample or forecasting error, as opposed to solely considering model identification. Through representative empirical studies, we validate the superior performance of SAMoSSA compared to existing baselines. Notably, SAMoSSA's ability to account for AR noise structure yields improvements ranging from 5% to 37% across various benchmark datasets.  ( 3 min )

The convergence of deterministic policy gradient under the Hadamard parameterization is studied in the tabular setting and the linear convergence of the algorithm is established. To this end, we first show that the error decreases at an $O(\frac{1}{k})$ rate for all the iterations. Based on this result, we further show that the algorithm has a faster local linear convergence rate after $k_0$ iterations, where $k_0$ is a constant that only depends on the MDP problem and the initialization. To show the local linear convergence of the algorithm, we have indeed established the contraction of the sub-optimal probability $b_s^k$ (i.e., the probability of the output policy $\pi^k$ on non-optimal actions) when $k\ge k_0$.  ( 2 min )

A system of coupled oscillators on an arbitrary graph is locally driven by the tendency to mutual synchronization between nearby oscillators, but can and often exhibit nonlinear behavior on the whole graph. Understanding such nonlinear behavior has been a key challenge in predicting whether all oscillators in such a system will eventually synchronize. In this paper, we demonstrate that, surprisingly, such nonlinear behavior of coupled oscillators can be effectively linearized in certain latent dynamic spaces. The key insight is that there is a small number of `latent dynamics filters', each with a specific association with synchronizing and non-synchronizing dynamics on subgraphs so that any observed dynamics on subgraphs can be approximated by a suitable linear combination of such elementary dynamic patterns. Taking an ensemble of subgraph-level predictions provides an interpretable predictor for whether the system on the whole graph reaches global synchronization. We propose algorithms based on supervised matrix factorization to learn such latent dynamics filters. We demonstrate that our method performs competitively in synchronization prediction tasks against baselines and black-box classification algorithms, despite its simple and interpretable architecture.  ( 2 min )

Let $\mathscr{F}_{n,d}$ be the class of all functions $f:\{-1,1\}^n\to[-1,1]$ on the $n$-dimensional discrete hypercube of degree at most $d$. In the first part of this paper, we prove that any (deterministic or randomized) algorithm which learns $\mathscr{F}_{n,d}$ with $L_2$-accuracy $\varepsilon$ requires at least $\Omega((1-\sqrt{\varepsilon})2^d\log n)$ queries for large enough $n$, thus establishing the sharpness as $n\to\infty$ of a recent upper bound of Eskenazis and Ivanisvili (2021). To do this, we show that the $L_2$-packing numbers $\mathsf{M}(\mathscr{F}_{n,d},\|\cdot\|_{L_2},\varepsilon)$ of the concept class $\mathscr{F}_{n,d}$ satisfy the two-sided estimate $$c(1-\varepsilon)2^d\log n \leq \log \mathsf{M}(\mathscr{F}_{n,d},\|\cdot\|_{L_2},\varepsilon) \leq \frac{2^{Cd}\log n}{\varepsilon^4}$$ for large enough $n$, where $c, C>0$ are universal constants. In the second part of the paper, we present a logarithmic upper bound for the randomized query complexity of classes of bounded approximate polynomials whose Fourier spectra are concentrated on few subsets. As an application, we prove new estimates for the number of random queries required to learn approximate juntas of a given degree, functions with rapidly decaying Fourier tails and constant depth circuits of given size. Finally, we obtain bounds for the number of queries required to learn the polynomial class $\mathscr{F}_{n,d}$ without error in the query and random example models.  ( 2 min )

Clustering stands as one of the most prominent challenges within the realm of unsupervised machine learning. Among the array of centroid-based clustering algorithms, the classic $k$-means algorithm, rooted in Lloyd's heuristic, takes center stage as one of the extensively employed techniques in the literature. Nonetheless, both $k$-means and its variants grapple with noteworthy limitations. These encompass a heavy reliance on initial cluster centroids, susceptibility to converging into local minima of the objective function, and sensitivity to outliers and noise in the data. When confronted with data containing noisy or outlier-laden observations, the Median-of-Means (MoM) estimator emerges as a stabilizing force for any centroid-based clustering framework. On a different note, a prevalent constraint among existing clustering methodologies resides in the prerequisite knowledge of the number of clusters prior to analysis. Utilizing model-based methodologies, such as Bayesian nonparametric models, offers the advantage of infinite mixture models, thereby circumventing the need for such requirements. Motivated by these facts, in this article, we present an efficient and automatic clustering technique by integrating the principles of model-based and centroid-based methodologies that mitigates the effect of noise on the quality of clustering while ensuring that the number of clusters need not be specified in advance. Statistical guarantees on the upper bound of clustering error, and rigorous assessment through simulated and real datasets suggest the advantages of our proposed method over existing state-of-the-art clustering algorithms.  ( 2 min )

Persistent homology is a methodology central to topological data analysis that extracts and summarizes the topological features within a dataset as a persistence diagram; it has recently gained much popularity from its myriad successful applications to many domains. However, its algebraic construction induces a metric space of persistence diagrams with a highly complex geometry. In this paper, we prove convergence of the $k$-means clustering algorithm on persistence diagram space and establish theoretical properties of the solution to the optimization problem in the Karush--Kuhn--Tucker framework. Additionally, we perform numerical experiments on various representations of persistent homology, including embeddings of persistence diagrams as well as diagrams themselves and their generalizations as persistence measures; we find that $k$-means clustering performance directly on persistence diagrams and measures outperform their vectorized representations.  ( 2 min )

In this paper, we explore optimal treatment allocation policies that target distributional welfare. Most literature on treatment choice has considered utilitarian welfare based on the conditional average treatment effect (ATE). While average welfare is intuitive, it may yield undesirable allocations especially when individuals are heterogeneous (e.g., with outliers) - the very reason individualized treatments were introduced in the first place. This observation motivates us to propose an optimal policy that allocates the treatment based on the conditional \emph{quantile of individual treatment effects} (QoTE). Depending on the choice of the quantile probability, this criterion can accommodate a policymaker who is either prudent or negligent. The challenge of identifying the QoTE lies in its requirement for knowledge of the joint distribution of the counterfactual outcomes, which is generally hard to recover even with experimental data. Therefore, we introduce minimax optimal policies that are robust to model uncertainty. We then propose a range of identifying assumptions under which we can point or partially identify the QoTE. We establish the asymptotic bound on the regret of implementing the proposed policies. We consider both stochastic and deterministic rules. In simulations and two empirical applications, we compare optimal decisions based on the QoTE with decisions based on other criteria.  ( 2 min )

As black-box machine learning models grow in complexity and find applications in high-stakes scenarios, it is imperative to provide explanations for their predictions. Although Local Interpretable Model-agnostic Explanations (LIME) [22] is a widely adpoted method for understanding model behaviors, it is unstable with respect to random seeds [35,24,3] and exhibits low local fidelity (i.e., how well the explanation approximates the model's local behaviors) [21,16]. Our study shows that this instability problem stems from small sample weights, leading to the dominance of regularization and slow convergence. Additionally, LIME's sampling neighborhood is non-local and biased towards the reference, resulting in poor local fidelity and sensitivity to reference choice. To tackle these challenges, we introduce GLIME, an enhanced framework extending LIME and unifying several prior methods. Within the GLIME framework, we derive an equivalent formulation of LIME that achieves significantly faster convergence and improved stability. By employing a local and unbiased sampling distribution, GLIME generates explanations with higher local fidelity compared to LIME. GLIME explanations are independent of reference choice. Moreover, GLIME offers users the flexibility to choose a sampling distribution based on their specific scenarios.  ( 2 min )

Graph generation poses a significant challenge as it involves predicting a complete graph with multiple nodes and edges based on simply a given label. This task also carries fundamental importance to numerous real-world applications, including de-novo drug and molecular design. In recent years, several successful methods have emerged in the field of graph generation. However, these approaches suffer from two significant shortcomings: (1) the underlying Graph Neural Network (GNN) architectures used in these methods are often underexplored; and (2) these methods are often evaluated on only a limited number of metrics. To fill this gap, we investigate the expressiveness of GNNs under the context of the molecular graph generation task, by replacing the underlying GNNs of graph generative models with more expressive GNNs. Specifically, we analyse the performance of six GNNs on six different molecular generative objectives on the ZINC-250k dataset in two different generative frameworks: autoregressive generation models, such as GCPN and GraphAF, and one-shot generation models, such as GraphEBM. Through our extensive experiments, we demonstrate that advanced GNNs can indeed improve the performance of GCPN, GraphAF, and GraphEBM on molecular generation tasks, but GNN expressiveness is not a necessary condition for a good GNN-based generative model. Moreover, we show that GCPN and GraphAF with advanced GNNs can achieve state-of-the-art results across 17 other non-GNN-based graph generative approaches, such as variational autoencoders and Bayesian optimisation models, on the proposed molecular generative objectives (DRD2, Median1, Median2), which are important metrics for de-novo molecular design.  ( 3 min )

In this paper, we provide a fine-grained analysis of the local landscape of phase retrieval under the regime with limited samples. Our aim is to ascertain the minimal sample size necessary to guarantee a benign local landscape surrounding global minima in high dimensions. Let $n$ and $d$ denote the sample size and input dimension, respectively. We first explore the local convexity and establish that when $n=o(d\log d)$, for almost every fixed point in the local ball, the Hessian matrix must have negative eigenvalues as long as $d$ is sufficiently large. Consequently, the local landscape is highly non-convex. We next consider the one-point strong convexity and show that as long as $n=\omega(d)$, with high probability, the landscape is one-point strongly convex in the local annulus: $\{w\in\mathbb{R}^d: o_d(1)\leqslant \|w-w^*\|\leqslant c\}$, where $w^*$ is the ground truth and $c$ is an absolute constant. This implies that gradient descent initialized from any point in this domain can converge to an $o_d(1)$-loss solution exponentially fast. Furthermore, we show that when $n=o(d\log d)$, there is a radius of $\widetilde\Theta\left(\sqrt{1/d}\right)$ such that one-point convexity breaks in the corresponding smaller local ball. This indicates an impossibility to establish a convergence to exact $w^*$ for gradient descent under limited samples by relying solely on one-point convexity.  ( 2 min )

In this study, we investigate the quantification of the statistical reliability of detected change points (CPs) in time series using a Recurrent Neural Network (RNN). Thanks to its flexibility, RNN holds the potential to effectively identify CPs in time series characterized by complex dynamics. However, there is an increased risk of erroneously detecting random noise fluctuations as CPs. The primary goal of this study is to rigorously control the risk of false detections by providing theoretically valid p-values to the CPs detected by RNN. To achieve this, we introduce a novel method based on the framework of Selective Inference (SI). SI enables valid inferences by conditioning on the event of hypothesis selection, thus mitigating selection bias. In this study, we apply SI framework to RNN-based CP detection, where characterizing the complex process of RNN selecting CPs is our main technical challenge. We demonstrate the validity and effectiveness of the proposed method through artificial and real data experiments.  ( 2 min )

The well-established practice of time series analysis involves estimating deterministic, non-stationary trend and seasonality components followed by learning the residual stochastic, stationary components. Recently, it has been shown that one can learn the deterministic non-stationary components accurately using multivariate Singular Spectrum Analysis (mSSA) in the absence of a correlated stationary component; meanwhile, in the absence of deterministic non-stationary components, the Autoregressive (AR) stationary component can also be learnt readily, e.g. via Ordinary Least Squares (OLS). However, a theoretical underpinning of multi-stage learning algorithms involving both deterministic and stationary components has been absent in the literature despite its pervasiveness. We resolve this open question by establishing desirable theoretical guarantees for a natural two-stage algorithm, where mSSA is first applied to estimate the non-stationary components despite the presence of a correlated stationary AR component, which is subsequently learned from the residual time series. We provide a finite-sample forecasting consistency bound for the proposed algorithm, SAMoSSA, which is data-driven and thus requires minimal parameter tuning. To establish theoretical guarantees, we overcome three hurdles: (i) we characterize the spectra of Page matrices of stable AR processes, thus extending the analysis of mSSA; (ii) we extend the analysis of AR process identification in the presence of arbitrary bounded perturbations; (iii) we characterize the out-of-sample or forecasting error, as opposed to solely considering model identification. Through representative empirical studies, we validate the superior performance of SAMoSSA compared to existing baselines. Notably, SAMoSSA's ability to account for AR noise structure yields improvements ranging from 5% to 37% across various benchmark datasets.  ( 3 min )

Federated learning (FL) is usually performed on resource-constrained edge devices, e.g., with limited memory for the computation. If the required memory to train a model exceeds this limit, the device will be excluded from the training. This can lead to a lower accuracy as valuable data and computation resources are excluded from training, also causing bias and unfairness. The FL training process should be adjusted to such constraints. The state-of-the-art techniques propose training subsets of the FL model at constrained devices, reducing their resource requirements for training. But these techniques largely limit the co-adaptation among parameters of the model and are highly inefficient, as we show: it is actually better to train a smaller (less accurate) model by the system where all the devices can train the model end-to-end, than applying such techniques. We propose a new method that enables successive freezing and training of the parameters of the FL model at devices, reducing the training's resource requirements at the devices, while still allowing enough co-adaptation between parameters. We show through extensive experimental evaluation that our technique greatly improves the accuracy of the trained model (by 52.4 p.p.) compared with the state of the art, efficiently aggregating the computation capacity available on distributed devices.  ( 2 min )

The behavior of neural networks still remains opaque, and a recently widely noted phenomenon is that networks often achieve similar performance when initialized with different random parameters. This phenomenon has attracted significant attention in measuring the similarity between features learned by distinct networks. However, feature similarity could be vague in describing the same feature since equivalent features hardly exist. In this paper, we expand the concept of equivalent feature and provide the definition of what we call functionally equivalent features. These features produce equivalent output under certain transformations. Using this definition, we aim to derive a more intrinsic metric for the so-called feature complexity regarding the redundancy of features learned by a neural network at each layer. We offer a formal interpretation of our approach through the lens of category theory, a well-developed area in mathematics. To quantify the feature complexity, we further propose an efficient algorithm named Iterative Feature Merging. Our experimental results validate our ideas and theories from various perspectives. We empirically demonstrate that the functionally equivalence widely exists among different features learned by the same neural network and we could reduce the number of parameters of the network without affecting the performance.The IFM shows great potential as a data-agnostic model prune method. We have also drawn several interesting empirical findings regarding the defined feature complexity.  ( 3 min )

This paper provides a comprehensive review of past and current advances in the early detection of bark beetle-induced tree mortality from three primary perspectives: bark beetle & host interactions, RS, and ML/DL. In contrast to prior efforts, this review encompasses all RS systems and emphasizes ML/DL methods to investigate their strengths and weaknesses. We parse existing literature based on multi- or hyper-spectral analyses and distill their knowledge based on: bark beetle species & attack phases with a primary emphasis on early stages of attacks, host trees, study regions, RS platforms & sensors, spectral/spatial/temporal resolutions, spectral signatures, spectral vegetation indices (SVIs), ML approaches, learning schemes, task categories, models, algorithms, classes/clusters, features, and DL networks & architectures. Although DL-based methods and the random forest (RF) algorithm showed promising results, highlighting their potential to detect subtle changes across visible, thermal, and short-wave infrared (SWIR) spectral regions, they still have limited effectiveness and high uncertainties. To inspire novel solutions to these shortcomings, we delve into the principal challenges & opportunities from different perspectives, enabling a deeper understanding of the current state of research and guiding future research directions.  ( 3 min )

Extensive research has been conducted on fault diagnosis of planetary gearboxes using vibration signals and deep learning (DL) approaches. However, DL-based methods are susceptible to the domain shift problem caused by varying operating conditions of the gearbox. Although domain adaptation and data synthesis methods have been proposed to overcome such domain shifts, they are often not directly applicable in real-world situations where only healthy data is available in the target domain. To tackle the challenge of extreme domain shift scenarios where only healthy data is available in the target domain, this paper proposes two novel domain knowledge-informed data synthesis methods utilizing the health data map (HDMap). The two proposed approaches are referred to as scaled CutPaste and FaultPaste. The HDMap is used to physically represent the vibration signal of the planetary gearbox as an image-like matrix, allowing for visualization of fault-related features. CutPaste and FaultPaste are then applied to generate faulty samples based on the healthy data in the target domain, using domain knowledge and fault signatures extracted from the source domain, respectively. In addition to generating realistic faults, the proposed methods introduce scaling of fault signatures for controlled synthesis of faults with various severity levels. A case study is conducted on a planetary gearbox testbed to evaluate the proposed approaches. The results show that the proposed methods are capable of accurately diagnosing faults, even in cases of extreme domain shift, and can estimate the severity of faults that have not been previously observed in the target domain.  ( 3 min )

As a vital step toward the intelligent agent, Action understanding matters for intelligent agents and has attracted long-term attention. It can be formed as the mapping from the action physical space to the semantic space. Typically, researchers built action datasets according to idiosyncratic choices to define classes and push the envelope of benchmarks respectively. Thus, datasets are incompatible with each other like "Isolated Islands" due to semantic gaps and various class granularities, e.g., do housework in dataset A and wash plate in dataset B. We argue that a more principled semantic space is an urgent need to concentrate the community efforts and enable us to use all datasets together to pursue generalizable action learning. To this end, we design a structured action semantic space in view of verb taxonomy hierarchy and covering massive actions. By aligning the classes of previous datasets to our semantic space, we gather (image/video/skeleton/MoCap) datasets into a unified database in a unified label system, i.e., bridging ``isolated islands'' into a "Pangea". Accordingly, we propose a novel model mapping from the physical space to semantic space to fully use Pangea. In extensive experiments, our new system shows significant superiority, especially in transfer learning. Code and data will be made publicly available.  ( 3 min )

Data valuation is a growing research field that studies the influence of individual data points for machine learning (ML) models. Data Shapley, inspired by cooperative game theory and economics, is an effective method for data valuation. However, it is well-known that the Shapley value (SV) can be computationally expensive. Fortunately, Jia et al. (2019) showed that for K-Nearest Neighbors (KNN) models, the computation of Data Shapley is surprisingly simple and efficient. In this note, we revisit the work of Jia et al. (2019) and propose a more natural and interpretable utility function that better reflects the performance of KNN models. We derive the corresponding calculation procedure for the Data Shapley of KNN classifiers/regressors with the new utility functions. Our new approach, dubbed soft-label KNN-SV, achieves the same time complexity as the original method. We further provide an efficient approximation algorithm for soft-label KNN-SV based on locality sensitive hashing (LSH). Our experimental results demonstrate that Soft-label KNN-SV outperforms the original method on most datasets in the task of mislabeled data detection, making it a better baseline for future work on data valuation.  ( 2 min )

Existing convolutional neural network architectures frequently rely upon batch normalization (BatchNorm) to effectively train the model. BatchNorm, however, performs poorly with small batch sizes, and is inapplicable to differential privacy. To address these limitations, we propose kernel normalization and kernel normalized convolutional layers, and incorporate them into kernel normalized convolutional networks (KNConvNets) as the main building blocks. We implement KNConvNets corresponding to the state-of-the-art ResNets while forgoing BatchNorm layers. Through extensive experiments, we illustrate KNConvNets achieve higher or competitive performance compared to the BatchNorm counterparts in image classification and semantic segmentation. They also significantly outperform their batch-independent competitors including layer and group normalization in non-private and differentially private training. Given that, KNConvNets combine the batch-independence property of layer and group normalization with the performance advantage of BatchNorm.  ( 2 min )

Navigating dynamic physical environments without obstructing or damaging human assets is of quintessential importance for social robots. In this work, we solve autonomous drone navigation's sub-problem of predicting out-of-domain human and agent trajectories using a deep generative model. Our method: General-PECNet or G-PECNet observes an improvement of 9.5\% on the Final Displacement Error (FDE) on 2020's benchmark: PECNet through a combination of architectural improvements inspired by periodic activation functions and synthetic trajectory (data) augmentations using Hidden Markov Models (HMMs) and Reinforcement Learning (RL). Additionally, we propose a simple geometry-inspired metric for trajectory non-linearity and outlier detection, helpful for the task. Code available at $\href{https://github.com/Aryan-Garg/PECNet-Pedestrian-Trajectory-Prediction.git}{GitHub}$  ( 2 min )

In everyday conversations, humans can take on different roles and adapt their vocabulary to their chosen roles. We explore whether LLMs can take on, that is impersonate, different roles when they generate text in-context. We ask LLMs to assume different personas before solving vision and language tasks. We do this by prefixing the prompt with a persona that is associated either with a social identity or domain expertise. In a multi-armed bandit task, we find that LLMs pretending to be children of different ages recover human-like developmental stages of exploration. In a language-based reasoning task, we find that LLMs impersonating domain experts perform better than LLMs impersonating non-domain experts. Finally, we test whether LLMs' impersonations are complementary to visual information when describing different categories. We find that impersonation can improve performance: an LLM prompted to be a bird expert describes birds better than one prompted to be a car expert. However, impersonation can also uncover LLMs' biases: an LLM prompted to be a man describes cars better than one prompted to be a woman. These findings demonstrate that LLMs are capable of taking on diverse roles and that this in-context impersonation can be used to uncover their hidden strengths and biases.  ( 2 min )

We study the long time behavior of an underdamped mean-field Langevin (MFL) equation, and provide a general convergence as well as an exponential convergence rate result under different conditions. The results on the MFL equation can be applied to study the convergence of the Hamiltonian gradient descent algorithm for the overparametrized optimization. We then provide a numerical example of the algorithm to train a generative adversarial networks (GAN).  ( 2 min )

High-quality reconstruction of MRI images from under-sampled `k-space' data, which is in the Fourier domain, is crucial for shortening MRI acquisition times and ensuring superior temporal resolution. Over recent years, a wealth of deep neural network (DNN) methods have emerged, aiming to tackle the complex, ill-posed inverse problem linked to this process. However, their instability against variations in the acquisition process and anatomical distribution exposes a deficiency in the generalization of relevant physical models within these DNN architectures. The goal of our work is to enhance the generalization capabilities of DNN methods for k-space interpolation by introducing `MA-RECON', an innovative mask-aware DNN architecture and associated training method. Unlike preceding approaches, our `MA-RECON' architecture encodes not only the observed data but also the under-sampling mask within the model structure. It implements a tailored training approach that leverages data generated with a variety of under-sampling masks to stimulate the model's generalization of the under-sampled MRI reconstruction problem. Therefore, effectively represents the associated inverse problem, akin to the classical compressed sensing approach. The benefits of our MA-RECON approach were affirmed through rigorous testing with the widely accessible fastMRI dataset. Compared to standard DNN methods and DNNs trained with under-sampling mask augmentation, our approach demonstrated superior generalization capabilities. This resulted in a considerable improvement in robustness against variations in both the acquisition process and anatomical distribution, especially in regions with pathology. In conclusion, our mask-aware strategy holds promise for enhancing the generalization capacity and robustness of DNN-based methodologies for MRI reconstruction from undersampled k-space data.  ( 3 min )

Multi-dimensional classification (MDC) can be employed in a range of applications where one needs to predict multiple class variables for each given instance. Many existing MDC methods suffer from at least one of inaccuracy, scalability, limited use to certain types of data, hardness of interpretation or lack of probabilistic (uncertainty) estimations. This paper is an attempt to address all these disadvantages simultaneously. We propose a formal framework for probabilistic MDC in which learning an optimal multi-dimensional classifier can be decomposed, without loss of generality, into learning a set of (smaller) single-variable multi-class probabilistic classifiers and a directed acyclic graph. Current and future developments of both probabilistic classification and graphical model learning can directly enhance our framework, which is flexible and provably optimal. A collection of experiments is conducted to highlight the usefulness of this MDC framework.  ( 2 min )

This work uses visual knowledge discovery in parallel coordinates to advance methods of interpretable machine learning. The graphic data representation in parallel coordinates made the concepts of hypercubes and hyperblocks (HBs) simple to understand for end users. It is suggested to use mixed and pure hyperblocks in the proposed data classifier algorithm Hyper. It is shown that Hyper models generalize decision trees. The algorithm is presented in several settings and options to discover interactively or automatically overlapping or non-overlapping hyperblocks. Additionally, the use of hyperblocks in conjunction with language descriptions of visual patterns is demonstrated. The benchmark data from the UCI ML repository were used to evaluate the Hyper algorithm. It enabled the discovery of mixed and pure HBs evaluated using 10-fold cross validation. Connections among hyperblocks, dimension reduction and visualization have been established. The capability of end users to find and observe hyperblocks, as well as the ability of side-by-side visualizations to make patterns evident, are among major advantages ofhyperblock technology and the Hyper algorithm. A new method to visualize incomplete n-D data with missing values is proposed, while the traditional parallel coordinates do not support it. The ability of HBs to better prevent both overgeneralization and overfitting of data over decision trees is demonstrated as another benefit of the hyperblocks. The features of VisCanvas 2.0 software tool that implements Hyper technology are presented.  ( 3 min )

Computational models are powerful tools for understanding human cognition and behavior. They let us express our theories clearly and precisely, and offer predictions that can be subtle and often counter-intuitive. However, this same richness and ability to surprise means our scientific intuitions and traditional tools are ill-suited to designing experiments to test and compare these models. To avoid these pitfalls and realize the full potential of computational modeling, we require tools to design experiments that provide clear answers about what models explain human behavior and the auxiliary assumptions those models must make. Bayesian optimal experimental design (BOED) formalizes the search for optimal experimental designs by identifying experiments that are expected to yield informative data. In this work, we provide a tutorial on leveraging recent advances in BOED and machine learning to find optimal experiments for any kind of model that we can simulate data from, and show how by-products of this procedure allow for quick and straightforward evaluation of models and their parameters against real experimental data. As a case study, we consider theories of how people balance exploration and exploitation in multi-armed bandit decision-making tasks. We validate the presented approach using simulations and a real-world experiment. As compared to experimental designs commonly used in the literature, we show that our optimal designs more efficiently determine which of a set of models best account for individual human behavior, and more efficiently characterize behavior given a preferred model. At the same time, formalizing a scientific question such that it can be adequately addressed with BOED can be challenging and we discuss several potential caveats and pitfalls that practitioners should be aware of. We provide code and tutorial notebooks to replicate all analyses.  ( 3 min )

Large language models (LLMs) that produce human-like responses have begun to revolutionize research practices in the social sciences. This paper shows how we can integrate LLMs and social surveys to accurately predict individual responses to survey questions that were not asked before. We develop a novel methodological framework to personalize LLMs by considering the meaning of survey questions derived from their text, the latent beliefs of individuals inferred from their response patterns, and the temporal contexts across different survey periods through fine-tuning LLMs with survey data. Using the General Social Survey from 1972 to 2021, we show that the fine-tuned model based on Alpaca-7b can predict individual responses to survey questions that are partially missing as well as entirely missing. The remarkable prediction capabilities allow us to fill in missing trends with high confidence and pinpoint when public attitudes changed, such as the rising support for same-sex marriage. We discuss practical constraints, socio-demographic representation, and ethical concerns regarding individual autonomy and privacy when using LLMs for opinion prediction. This study demonstrates that LLMs and surveys can mutually enhance each other's capabilities: LLMs broaden survey potential, while surveys improve the alignment of LLMs.  ( 2 min )

Automatic Speech Recognition (ASR) models need to be optimized for specific hardware before they can be deployed on devices. This can be done by tuning the model's hyperparameters or exploring variations in its architecture. Re-training and re-validating models after making these changes can be a resource-intensive task. This paper presents TODM (Train Once Deploy Many), a new approach to efficiently train many sizes of hardware-friendly on-device ASR models with comparable GPU-hours to that of a single training job. TODM leverages insights from prior work on Supernet, where Recurrent Neural Network Transducer (RNN-T) models share weights within a Supernet. It reduces layer sizes and widths of the Supernet to obtain subnetworks, making them smaller models suitable for all hardware types. We introduce a novel combination of three techniques to improve the outcomes of the TODM Supernet: adaptive dropouts, an in-place Alpha-divergence knowledge distillation, and the use of ScaledAdam optimizer. We validate our approach by comparing Supernet-trained versus individually tuned Multi-Head State Space Model (MH-SSM) RNN-T using LibriSpeech. Results demonstrate that our TODM Supernet either matches or surpasses the performance of manually tuned models by up to a relative of 3% better in word error rate (WER), while efficiently keeping the cost of training many models at a small constant.

Federated learning is a new learning paradigm that decouples data collection and model training via multi-party computation and model aggregation. As a flexible learning setting, federated learning has the potential to integrate with other learning frameworks. We conduct a focused survey of federated learning in conjunction with other learning algorithms. Specifically, we explore various learning algorithms to improve the vanilla federated averaging algorithm and review model fusion methods such as adaptive aggregation, regularization, clustered methods, and Bayesian methods. Following the emerging trends, we also discuss federated learning in the intersection with other learning paradigms, termed federated X learning, where X includes multitask learning, meta-learning, transfer learning, unsupervised learning, and reinforcement learning. This survey reviews the state of the art, challenges, and future directions.  ( 2 min )

As the adoption of Artificial Intelligence (AI) systems within the clinical environment grows, limitations in bandwidth and compute can create communication bottlenecks when streaming imaging data, leading to delays in patient care and increased cost. As such, healthcare providers and AI vendors will require greater computational infrastructure, therefore dramatically increasing costs. To that end, we developed ISLE, an intelligent streaming framework for high-throughput, compute- and bandwidth- optimized, and cost effective AI inference for clinical decision making at scale. In our experiments, ISLE on average reduced data transmission by 98.02% and decoding time by 98.09%, while increasing throughput by 2,730%. We show that ISLE results in faster turnaround times, and reduced overall cost of data, transmission, and compute, without negatively impacting clinical decision making using AI systems.  ( 2 min )

Physics-informed Neural Networks (PINNs) have recently gained popularity due to their effective approximation of partial differential equations (PDEs) using deep neural networks (DNNs). However, their out of domain behavior is not well understood, with previous work speculating that the presence of high frequency components in the solution function might be to blame for poor extrapolation performance. In this paper, we study the extrapolation behavior of PINNs on a representative set of PDEs of different types, including high-dimensional PDEs. We find that failure to extrapolate is not caused by high frequencies in the solution function, but rather by shifts in the support of the Fourier spectrum over time. We term these spectral shifts and quantify them by introducing a Weighted Wasserstein-Fourier distance (WWF). We show that the WWF can be used to predict PINN extrapolation performance, and that in the absence of significant spectral shifts, PINN predictions stay close to the true solution even in extrapolation. Finally, we propose a transfer learning-based strategy to mitigate the effects of larger spectral shifts, which decreases extrapolation errors by up to 82%.  ( 2 min )

Deep learning has the potential to revolutionize medical practice by automating and performing important tasks like detecting and delineating the size and locations of cancers in medical images. However, most deep learning models rely on augmentation techniques that treat medical images as natural images. For contrast-enhanced Computed Tomography (CT) images in particular, the signals producing the voxel intensities have physical meaning, which is lost during preprocessing and augmentation when treating such images as natural images. To address this, we propose a novel preprocessing and intensity augmentation scheme inspired by how radiologists leverage multiple viewing windows when evaluating CT images. Our proposed method, window shifting, randomly places the viewing windows around the region of interest during training. This approach improves liver lesion segmentation performance and robustness on images with poorly timed contrast agent. Our method outperforms classical intensity augmentations as well as the intensity augmentation pipeline of the popular nn-UNet on multiple datasets.  ( 2 min )

Hyperparameter optimization, also known as hyperparameter tuning, is a widely recognized technique for improving model performance. Regrettably, when training private ML models, many practitioners often overlook the privacy risks associated with hyperparameter optimization, which could potentially expose sensitive information about the underlying dataset. Currently, the sole existing approach to allow privacy-preserving hyperparameter optimization is to uniformly and randomly select hyperparameters for a number of runs, subsequently reporting the best-performing hyperparameter. In contrast, in non-private settings, practitioners commonly utilize ``adaptive'' hyperparameter optimization methods such as Gaussian process-based optimization, which select the next candidate based on information gathered from previous outputs. This substantial contrast between private and non-private hyperparameter optimization underscores a critical concern. In our paper, we introduce DP-HyPO, a pioneering framework for ``adaptive'' private hyperparameter optimization, aiming to bridge the gap between private and non-private hyperparameter optimization. To accomplish this, we provide a comprehensive differential privacy analysis of our framework. Furthermore, we empirically demonstrate the effectiveness of DP-HyPO on a diverse set of real-world datasets.

Quantum machine learning has the potential for a transformative impact across industry sectors and in particular in finance. In our work we look at the problem of hedging where deep reinforcement learning offers a powerful framework for real markets. We develop quantum reinforcement learning methods based on policy-search and distributional actor-critic algorithms that use quantum neural network architectures with orthogonal and compound layers for the policy and value functions. We prove that the quantum neural networks we use are trainable, and we perform extensive simulations that show that quantum models can reduce the number of trainable parameters while achieving comparable performance and that the distributional approach obtains better performance than other standard approaches, both classical and quantum. We successfully implement the proposed models on a trapped-ion quantum processor, utilizing circuits with up to $16$ qubits, and observe performance that agrees well with noiseless simulation. Our quantum techniques are general and can be applied to other reinforcement learning problems beyond hedging.

Logs are an essential source of information for people to understand the running status of a software system. Due to the evolving modern software architecture and maintenance methods, more research efforts have been devoted to automated log analysis. In particular, machine learning (ML) has been widely used in log analysis tasks. In ML-based log analysis tasks, converting textual log data into numerical feature vectors is a critical and indispensable step. However, the impact of using different log representation techniques on the performance of the downstream models is not clear, which limits researchers and practitioners' opportunities of choosing the optimal log representation techniques in their automated log analysis workflows. Therefore, this work investigates and compares the commonly adopted log representation techniques from previous log analysis research. Particularly, we select six log representation techniques and evaluate them with seven ML models and four public log datasets (i.e., HDFS, BGL, Spirit and Thunderbird) in the context of log-based anomaly detection. We also examine the impacts of the log parsing process and the different feature aggregation approaches when they are employed with log representation techniques. From the experiments, we provide some heuristic guidelines for future researchers and developers to follow when designing an automated log analysis workflow. We believe our comprehensive comparison of log representation techniques can help researchers and practitioners better understand the characteristics of different log representation techniques and provide them with guidance for selecting the most suitable ones for their ML-based log analysis workflow.

Despite the promising few-shot ability of large language models (LLMs), the standard paradigm of In-context Learning (ICL) suffers the disadvantages of susceptibility to selected demonstrations and the intricacy to generate these demonstrations. In this paper, we raise the fundamental question that whether human-generated demonstrations are necessary for ICL. To answer this question, we propose self-contemplation prompting strategy (SEC), a paradigm free from human-crafted demonstrations. The key point of SEC is that, instead of using hand-crafted examples as demonstrations in ICL, SEC asks LLMs to first create demonstrations on their own, based on which the final output is generated. SEC is a flexible framework and can be adapted to both the vanilla ICL and the chain-of-thought (CoT), but with greater ease: as the manual-generation process of both examples and rationale can be saved. Extensive experiments in arithmetic reasoning, commonsense reasoning, multi-task language understanding, and code generation benchmarks, show that SEC, which does not require hand-crafted demonstrations, significantly outperforms the zero-shot learning strategy, and achieves comparable results to ICL with hand-crafted demonstrations. This demonstrates that, for many tasks, contemporary LLMs possess a sufficient level of competence to exclusively depend on their own capacity for decision making, removing the need for external training data. Code is available at https://github.com/ruili33/SEC.

Confounding is a significant obstacle to unbiased estimation of causal effects from observational data. For settings with high-dimensional covariates -- such as text data, genomics, or the behavioral social sciences -- researchers have proposed methods to adjust for confounding by adapting machine learning methods to the goal of causal estimation. However, empirical evaluation of these adjustment methods has been challenging and limited. In this work, we build on a promising empirical evaluation strategy that simplifies evaluation design and uses real data: subsampling randomized controlled trials (RCTs) to create confounded observational datasets while using the average causal effects from the RCTs as ground-truth. We contribute a new sampling algorithm, which we call RCT rejection sampling, and provide theoretical guarantees that causal identification holds in the observational data to allow for valid comparisons to the ground-truth RCT. Using synthetic data, we show our algorithm indeed results in low bias when oracle estimators are evaluated on the confounded samples, which is not always the case for a previously proposed algorithm. In addition to this identification result, we highlight several finite data considerations for evaluation designers who plan to use RCT rejection sampling on their own datasets. As a proof of concept, we implement an example evaluation pipeline and walk through these finite data considerations with a novel, real-world RCT -- which we release publicly -- consisting of approximately 70k observations and text data as high-dimensional covariates. Together, these contributions build towards a broader agenda of improved empirical evaluation for causal estimation.

The convergence of deterministic policy gradient under the Hadamard parameterization is studied in the tabular setting and the linear convergence of the algorithm is established. To this end, we first show that the error decreases at an $O(\frac{1}{k})$ rate for all the iterations. Based on this result, we further show that the algorithm has a faster local linear convergence rate after $k_0$ iterations, where $k_0$ is a constant that only depends on the MDP problem and the initialization. To show the local linear convergence of the algorithm, we have indeed established the contraction of the sub-optimal probability $b_s^k$ (i.e., the probability of the output policy $\pi^k$ on non-optimal actions) when $k\ge k_0$.

Energy-based models are a simple yet powerful class of probabilistic models, but their widespread adoption has been limited by the computational burden of training them. We propose a novel loss function called Energy Discrepancy (ED) which does not rely on the computation of scores or expensive Markov chain Monte Carlo. We show that ED approaches the explicit score matching and negative log-likelihood loss under different limits, effectively interpolating between both. Consequently, minimum ED estimation overcomes the problem of nearsightedness encountered in score-based estimation methods, while also enjoying theoretical guarantees. Through numerical experiments, we demonstrate that ED learns low-dimensional data distributions faster and more accurately than explicit score matching or contrastive divergence. For high-dimensional image data, we describe how the manifold hypothesis puts limitations on our approach and demonstrate the effectiveness of energy discrepancy by training the energy-based model as a prior of a variational decoder model.  ( 2 min )

eXplainable Artificial Intelligence (XAI) has emerged as an essential requirement when dealing with mission-critical applications, ensuring transparency and interpretability of the employed black box AI models. The significance of XAI spans various domains, from healthcare to finance, where understanding the decision-making process of deep learning algorithms is essential. Most AI-based computer vision models are often black boxes; hence, providing explainability of deep neural networks in image processing is crucial for their wide adoption and deployment in medical image analysis, autonomous driving, and remote sensing applications. Recently, several XAI methods for image classification tasks have been introduced. On the contrary, image segmentation has received comparatively less attention in the context of explainability, although it is a fundamental task in computer vision applications, especially in remote sensing. Only some research proposes gradient-based XAI algorithms for image segmentation. This paper adapts the recent gradient-free Sobol XAI method for semantic segmentation. To measure the performance of the Sobol method for segmentation, we propose a quantitative XAI evaluation method based on a learnable noise model. The main objective of this model is to induce noise on the explanation maps, where higher induced noise signifies low accuracy and vice versa. A benchmark analysis is conducted to evaluate and compare performance of three XAI methods, including Seg-Grad-CAM, Seg-Grad-CAM++ and Seg-Sobol using the proposed noise-based evaluation technique. This constitutes the first attempt to run and evaluate XAI methods using high-resolution satellite images.

What is the relationship between model architecture and the ability to perform in-context learning? In this empirical study, we take the first steps toward answering this question. We evaluate twelve model architectures capable of causal language modeling across a suite of synthetic in-context learning tasks. These selected architectures represent a broad range of paradigms, including recurrent and convolution-based neural networks, transformers, state-space model inspired, and other emerging attention alternatives. We discover that all the considered architectures can perform in-context learning under a wider range of conditions than previously documented. Additionally, we observe stark differences in statistical efficiency and consistency by varying context length and task difficulty. We also measure each architecture's predisposition towards in-context learning when presented with alternative routes for task resolution. Finally, and somewhat surprisingly, we find that several attention alternatives are more robust in-context learners than transformers. Given that such approaches have constant-sized memory footprints at inference time, this result opens the possibility of scaling up in-context learning to accommodate vastly larger numbers of in-context examples.  ( 2 min )

Real-life applications of deep neural networks are hindered by their unsteady predictions when faced with noisy inputs and adversarial attacks. The certified radius is in this context a crucial indicator of the robustness of models. However how to design an efficient classifier with a sufficient certified radius? Randomized smoothing provides a promising framework by relying on noise injection in inputs to obtain a smoothed and more robust classifier. In this paper, we first show that the variance introduced by randomized smoothing closely interacts with two other important properties of the classifier, \textit{i.e.} its Lipschitz constant and margin. More precisely, our work emphasizes the dual impact of the Lipschitz constant of the base classifier, on both the smoothed classifier and the empirical variance. Moreover, to increase the certified robust radius, we introduce a different simplex projection technique for the base classifier to leverage the variance-margin trade-off thanks to Bernstein's concentration inequality, along with an enhanced Lipschitz bound. Experimental results show a significant improvement in certified accuracy compared to current state-of-the-art methods. Our novel certification procedure allows us to use pre-trained models that are used with randomized smoothing, effectively improving the current certification radius in a zero-shot manner.  ( 2 min )

We present MovePose, an optimized lightweight convolutional neural network designed specifically for real-time body pose estimation on CPU-based mobile devices. The current solutions do not provide satisfactory accuracy and speed for human posture estimation, and MovePose addresses this gap. It aims to maintain real-time performance while improving the accuracy of human posture estimation for mobile devices. The network produces 17 keypoints for each individual at a rate exceeding 11 frames per second, making it suitable for real-time applications such as fitness tracking, sign language interpretation, and advanced mobile human posture estimation. Our MovePose algorithm has attained an Mean Average Precision (mAP) score of 67.7 on the COCO \cite{cocodata} validation dataset. The MovePose algorithm displayed efficiency with a performance of 69+ frames per second (fps) when run on an Intel i9-10920x CPU. Additionally, it showcased an increased performance of 452+ fps on an NVIDIA RTX3090 GPU. On an Android phone equipped with a Snapdragon 8 + 4G processor, the fps reached above 11. To enhance accuracy, we incorporated three techniques: deconvolution, large kernel convolution, and coordinate classification methods. Compared to basic upsampling, deconvolution is trainable, improves model capacity, and enhances the receptive field. Large kernel convolution strengthens these properties at a decreased computational cost. In summary, MovePose provides high accuracy and real-time performance, marking it a potential tool for a variety of applications, including those focused on mobile-side human posture estimation. The code and models for this algorithm will be made publicly accessible.  ( 3 min )

Machine learning problems rely heavily on stochastic gradient descent (SGD) for optimization. The effectiveness of SGD is contingent upon accurately estimating gradients from a mini-batch of data samples. Instead of the commonly used uniform sampling, adaptive or importance sampling reduces noise in gradient estimation by forming mini-batches that prioritize crucial data points. Previous research has suggested that data points should be selected with probabilities proportional to their gradient norm. Nevertheless, existing algorithms have struggled to efficiently integrate importance sampling into machine learning frameworks. In this work, we make two contributions. First, we present an algorithm that can incorporate existing importance functions into our framework. Second, we propose a simplified importance function that relies solely on the loss gradient of the output layer. By leveraging our proposed gradient estimation techniques, we observe improved convergence in classification and regression tasks with minimal computational overhead. We validate the effectiveness of our adaptive and importance-sampling approach on image and point-cloud datasets.  ( 2 min )

Deep neural networks (DNNs) have been widely deployed across diverse domains such as computer vision and natural language processing. However, the impressive accomplishments of DNNs have been realized alongside extensive computational demands, thereby impeding their applicability on resource-constrained devices. To address this challenge, many researchers have been focusing on basic neuron structures, the fundamental building blocks of neural networks, to alleviate the computational and storage cost. In this work, an efficient quadratic neuron architecture distinguished by its enhanced utilization of second-order computational information is introduced. By virtue of their better expressivity, DNNs employing the proposed quadratic neurons can attain similar accuracy with fewer neurons and computational cost. Experimental results have demonstrated that the proposed quadratic neuron structure exhibits superior computational and storage efficiency across various tasks when compared with both linear and non-linear neurons in prior work.  ( 2 min )

Data augmentation is a widely used technique and an essential ingredient in the recent advance in self-supervised representation learning. By preserving the similarity between augmented data, the resulting data representation can improve various downstream analyses and achieve state-of-the-art performance in many applications. Despite the empirical effectiveness, most existing methods lack theoretical understanding under a general nonlinear setting. To fill this gap, we develop a statistical framework on a low-dimension product manifold to model the data augmentation transformation. Under this framework, we introduce a new representation learning method called augmentation invariant manifold learning and design a computationally efficient algorithm by reformulating it as a stochastic optimization problem. Compared with existing self-supervised methods, the new method simultaneously exploits the manifold's geometric structure and invariant property of augmented data and has an explicit theoretical guarantee. Our theoretical investigation characterizes the role of data augmentation in the proposed method and reveals why and how the data representation learned from augmented data can improve the $k$-nearest neighbor classifier in the downstream analysis, showing that a more complex data augmentation leads to more improvement in downstream analysis. Finally, numerical experiments on simulated and real datasets are presented to demonstrate the merit of the proposed method.  ( 2 min )

This paper presents DeepTSF, a comprehensive machine learning operations (MLOps) framework aiming to innovate time series forecasting through workflow automation and codeless modeling. DeepTSF automates key aspects of the ML lifecycle, making it an ideal tool for data scientists and MLops engineers engaged in machine learning (ML) and deep learning (DL)-based forecasting. DeepTSF empowers users with a robust and user-friendly solution, while it is designed to seamlessly integrate with existing data analysis workflows, providing enhanced productivity and compatibility. The framework offers a front-end user interface (UI) suitable for data scientists, as well as other higher-level stakeholders, enabling comprehensive understanding through insightful visualizations and evaluation metrics. DeepTSF also prioritizes security through identity management and access authorization mechanisms. The application of DeepTSF in real-life use cases of the I-NERGY project has already proven DeepTSF's efficacy in DL-based load forecasting, showcasing its significant added value in the electrical power and energy systems domain.  ( 2 min )

The thrombotic microangiopathies (TMAs) manifest in renal biopsy histology with a broad spectrum of acute and chronic findings. Precise diagnostic criteria for a renal biopsy diagnosis of TMA are missing. As a first step towards a machine learning- and computer vision-based analysis of wholes slide images from renal biopsies, we trained a segmentation model for the decisive diagnostic kidney tissue compartments artery, arteriole, glomerulus on a set of whole slide images from renal biopsies with TMAs and Mimickers (distinct diseases with a similar nephropathological appearance as TMA like severe benign nephrosclerosis, various vasculitides, Bevacizumab-plug glomerulopathy, arteriolar light chain deposition disease). Our segmentation model combines a U-Net-based tissue detection with a Shifted windows-transformer architecture to reach excellent segmentation results for even the most severely altered glomeruli, arterioles and arteries, even on unseen staining domains from a different nephropathology lab. With accurate automatic segmentation of the decisive renal biopsy compartments in human renal vasculopathies, we have laid the foundation for large-scale compartment-specific machine learning and computer vision analysis of renal biopsy repositories with TMAs.  ( 3 min )

Generative model-based deep clustering frameworks excel in classifying complex data, but are limited in handling dynamic and complex features because they require prior knowledge of the number of clusters. In this paper, we propose a nonparametric deep clustering framework that employs an infinite mixture of Gaussians as a prior. Our framework utilizes a memoized online variational inference method that enables the "birth" and "merge" moves of clusters, allowing our framework to cluster data in a "dynamic-adaptive" manner, without requiring prior knowledge of the number of features. We name the framework as DIVA, a Dirichlet Process-based Incremental deep clustering framework via Variational Auto-Encoder. Our framework, which outperforms state-of-the-art baselines, exhibits superior performance in classifying complex data with dynamically changing features, particularly in the case of incremental features. We released our source code implementation at: https://github.com/Ghiara/diva

The morphological fingerprint in the brain is capable of identifying the uniqueness of an individual. However, whether such individual patterns are present in perinatal brains, and which morphological attributes or cortical regions better characterize the individual differences of ne-onates remain unclear. In this study, we proposed a deep learning framework that projected three-dimensional spherical meshes of three morphological features (i.e., cortical thickness, mean curvature, and sulcal depth) onto two-dimensional planes through quasi-conformal mapping, and employed the ResNet18 and contrastive learning for individual identification. We used the cross-sectional structural MRI data of 682 infants, incorporating with data augmentation, to train the model and fine-tuned the parameters based on 60 infants who had longitudinal scans. The model was validated on 30 longitudinal scanned infant data, and remarkable Top1 and Top5 accuracies of 71.37% and 84.10% were achieved, respectively. The sensorimotor and visual cortices were recognized as the most contributive regions in individual identification. Moreover, the folding morphology demonstrated greater discriminative capability than the cortical thickness, which could serve as the morphological fingerprint in perinatal brains. These findings provided evidence for the emergence of morphological fingerprints in the brain at the beginning of the third trimester, which may hold promising implications for understanding the formation of in-dividual uniqueness in the brain during early development.  ( 2 min )

We propose the first unsupervised and learning-based method to identify interpretable directions in h-space of pre-trained diffusion models. Our method is derived from an existing technique that operates on the GAN latent space. Specifically, we employ a shift control module that works on h-space of pre-trained diffusion models to manipulate a sample into a shifted version of itself, followed by a reconstructor to reproduce both the type and the strength of the manipulation. By jointly optimizing them, the model will spontaneously discover disentangled and interpretable directions. To prevent the discovery of meaningless and destructive directions, we employ a discriminator to maintain the fidelity of shifted sample. Due to the iterative generative process of diffusion models, our training requires a substantial amount of GPU VRAM to store numerous intermediate tensors for back-propagating gradient. To address this issue, we propose a general VRAM-efficient training algorithm based on gradient checkpointing technique to back-propagate any gradient through the whole generative process, with acceptable occupancy of VRAM and sacrifice of training efficiency. Compared with existing related works on diffusion models, our method inherently identifies global and scalable directions, without necessitating any other complicated procedures. Extensive experiments on various datasets demonstrate the effectiveness of our method.  ( 2 min )

Explainable Artificial Intelligence (XAI) is targeted at understanding how models perform feature selection and derive their classification decisions. This paper explores post-hoc explanations for deep neural networks in the audio domain. Notably, we present a novel Open Source audio dataset consisting of 30,000 audio samples of English spoken digits which we use for classification tasks on spoken digits and speakers' biological sex. We use the popular XAI technique Layer-wise Relevance Propagation (LRP) to identify relevant features for two neural network architectures that process either waveform or spectrogram representations of the data. Based on the relevance scores obtained from LRP, hypotheses about the neural networks' feature selection are derived and subsequently tested through systematic manipulations of the input data. Further, we take a step beyond visual explanations and introduce audible heatmaps. We demonstrate the superior interpretability of audible explanations over visual ones in a human user study.  ( 2 min )

Perception is crucial in the realm of autonomous driving systems, where bird's eye view (BEV)-based architectures have recently reached state-of-the-art performance. The desirability of self-supervised representation learning stems from the expensive and laborious process of annotating 2D and 3D data. Although previous research has investigated pretraining methods for both LiDAR and camera-based 3D object detection, a unified pretraining framework for multimodal BEV perception is missing. In this study, we introduce CALICO, a novel framework that applies contrastive objectives to both LiDAR and camera backbones. Specifically, CALICO incorporates two stages: point-region contrast (PRC) and region-aware distillation (RAD). PRC better balances the region- and scene-level representation learning on the LiDAR modality and offers significant performance improvement compared to existing methods. RAD effectively achieves contrastive distillation on our self-trained teacher model. CALICO's efficacy is substantiated by extensive evaluations on 3D object detection and BEV map segmentation tasks, where it delivers significant performance improvements. Notably, CALICO outperforms the baseline method by 10.5% and 8.6% on NDS and mAP. Moreover, CALICO boosts the robustness of multimodal 3D object detection against adversarial attacks and corruption. Additionally, our framework can be tailored to different backbones and heads, positioning it as a promising approach for multimodal BEV perception.

Brain representations must strike a balance between generalizability and adaptability. Neural codes capture general statistical regularities in the world, while dynamically adjusting to reflect current goals. One aspect of this adaptation is stochastically co-modulating neurons' gains based on their task relevance. These fluctuations then propagate downstream to guide decision-making. Here, we test the computational viability of such a scheme in the context of multi-task learning. We show that fine-tuning convolutional networks by stochastic gain modulation improves on deterministic gain modulation, achieving state-of-the-art results on the CelebA dataset. To better understand the mechanisms supporting this improvement, we explore how fine-tuning performance is affected by architecture using Cifar-100. Overall, our results suggest that stochastic comodulation can enhance learning efficiency and performance in multi-task learning, without additional learnable parameters. This offers a promising new direction for developing more flexible and robust intelligent systems.  ( 2 min )

Sleep apnea (SA) is a significant respiratory condition that poses a major global health challenge. Previous studies have investigated several machine and deep learning models for electrocardiogram (ECG)-based SA diagnoses. Despite these advancements, conventional feature extractions derived from ECG signals, such as R-peaks and RR intervals, may fail to capture crucial information encompassed within the complete PQRST segments. In this study, we propose an innovative approach to address this diagnostic gap by delving deeper into the comprehensive segments of the ECG signal. The proposed methodology draws inspiration from Matrix Profile algorithms, which generate an Euclidean distance profile from fixed-length signal subsequences. From this, we derived the Min Distance Profile (MinDP), Max Distance Profile (MaxDP), and Mean Distance Profile (MeanDP) based on the minimum, maximum, and mean of the profile distances, respectively. To validate the effectiveness of our approach, we use the modified LeNet-5 architecture as the primary CNN model, along with two existing lightweight models, BAFNet and SE-MSCNN, for ECG classification tasks. Our extensive experimental results on the PhysioNet Apnea-ECG dataset revealed that with the new feature extraction method, we achieved a per-segment accuracy up to 92.11 \% and a per-recording accuracy of 100\%. Moreover, it yielded the highest correlation compared to state-of-the-art methods, with a correlation coefficient of 0.989. By introducing a new feature extraction method based on distance relationships, we enhanced the performance of certain lightweight models, showing potential for home sleep apnea test (HSAT) and SA detection in IoT devices. The source code for this work is made publicly available in GitHub: https://github.com/vinuni-vishc/MPCNN-Sleep-Apnea.  ( 3 min )

Support Vector Machine (SVM) algorithm requires a high computational cost (both in memory and time) to solve a complex quadratic programming (QP) optimization problem during the training process. Consequently, SVM necessitates high computing hardware capabilities. The central processing unit (CPU) clock frequency cannot be increased due to physical limitations in the miniaturization process. However, the potential of parallel multi-architecture, available in both multi-core CPUs and highly scalable GPUs, emerges as a promising solution to enhance algorithm performance. Therefore, there is an opportunity to reduce the high computational time required by SVM for solving the QP optimization problem. This paper presents a comparative study that implements the SVM algorithm on different parallel architecture frameworks. The experimental results show that SVM MPI-CUDA implementation achieves a speedup over SVM TensorFlow implementation on different datasets. Moreover, SVM TensorFlow implementation provides a cross-platform solution that can be migrated to alternative hardware components, which will reduces the development time.  ( 2 min )

The Imaging Data Commons (IDC) is a cloud-based database that provides researchers with open access to cancer imaging data, with the goal of facilitating collaboration. However, cohort discovery within the IDC database has a significant technical learning curve. Recently, large language models (LLM) have demonstrated exceptional utility for natural language processing tasks. We developed Text2Cohort, a LLM-powered toolkit to facilitate user-friendly natural language cohort discovery in the IDC. Our method translates user input into IDC queries using grounding techniques and returns the query's response. We evaluate Text2Cohort on 50 natural language inputs, from information extraction to cohort discovery. Our toolkit successfully generated responses with an 88% accuracy and 0.94 F1 score. We demonstrate that Text2Cohort can enable researchers to discover and curate cohorts on IDC with high levels of accuracy using natural language in a more intuitive and user-friendly way.

Class imbalance (CI) in classification problems arises when the number of observations belonging to one class is lower than the other. Ensemble learning combines multiple models to obtain a robust model and has been prominently used with data augmentation methods to address class imbalance problems. In the last decade, a number of strategies have been added to enhance ensemble learning and data augmentation methods, along with new methods such as generative adversarial networks (GANs). A combination of these has been applied in many studies, and the evaluation of different combinations would enable a better understanding and guidance for different application domains. In this paper, we present a computational study to evaluate data augmentation and ensemble learning methods used to address prominent benchmark CI problems. We present a general framework that evaluates 9 data augmentation and 9 ensemble learning methods for CI problems. Our objective is to identify the most effective combination for improving classification performance on imbalanced datasets. The results indicate that combinations of data augmentation methods with ensemble learning can significantly improve classification performance on imbalanced datasets. We find that traditional data augmentation methods such as the synthetic minority oversampling technique (SMOTE) and random oversampling (ROS) are not only better in performance for selected CI problems, but also computationally less expensive than GANs. Our study is vital for the development of novel models for handling imbalanced datasets.

Children with developmental language disorder (DLD) encounter difficulties in acquiring various language structures. Early identification and intervention are crucial to prevent negative long-term outcomes impacting the academic, social, and emotional development of children. The study aims to develop an automated method for the identification of DLD using artificial intelligence, specifically a neural network machine learning algorithm. This protocol is applied for the first time in Cypriot Greek children, which is generally considered underresearched in the context of DLD. The neural network model was trained using perceptual and production data elicited from children with DLD and healthy controls. The k-fold technique was used to crossvalidate the algorithm. The performance of the model was evaluated using metrics such as accuracy, precision, recall, F1 score, and ROC/AUC curve to assess its ability to make accurate predictions on a set of unseen data. The results demonstrated high classification values for all metrics (between 0.92 and 0.98), indicating the high accuracy of the neural model in classifying children with DLD. Additionally, the variable importance analysis revealed that the language production skills of children had a more significant impact on the performance of the model compared to perception skills. Neural networks represent powerful tools for detecting DLD, providing early and quick assessments of the disorder, and having the potential to improve clinical outcomes.

The Elo algorithm, renowned for its simplicity, is widely used for rating in sports tournaments and other applications. However, despite its widespread use, a detailed understanding of the convergence characteristics of the Elo algorithm is still lacking. Aiming to fill this gap, this paper presents a comprehensive (stochastic) analysis of the Elo algorithm, considering round-robin tournaments. Specifically, analytical expressions are derived describing the evolution of the skills and performance metrics. Then, taking into account the relationship between the behavior of the algorithm and the step-size value, which is a hyperparameter that can be controlled, design guidelines and discussions about the performance of the algorithm are provided. Experimental results are shown confirming the accuracy of the analysis and illustrating the applicability of the theoretical findings using real-world data obtained from SuperLega, the Italian volleyball league.

Constructing nonasymptotic confidence intervals (CIs) for the mean of a univariate distribution from independent and identically distributed (i.i.d.) observations is a fundamental task in statistics. For bounded observations, a classical nonparametric approach proceeds by inverting standard concentration bounds, such as Hoeffding's or Bernstein's inequalities. Recently, an alternative betting-based approach for defining CIs and their time-uniform variants called confidence sequences (CSs), has been shown to be empirically superior to the classical methods. In this paper, we provide theoretical justification for this improved empirical performance of betting CIs and CSs. Our main contributions are as follows: (i) We first compare CIs using the values of their first-order asymptotic widths (scaled by $\sqrt{n}$), and show that the betting CI of Waudby-Smith and Ramdas (2023) has a smaller limiting width than existing empirical Bernstein (EB)-CIs. (ii) Next, we establish two lower bounds that characterize the minimum width achievable by any method for constructing CIs/CSs in terms of certain inverse information projections. (iii) Finally, we show that the betting CI and CS match the fundamental limits, modulo an additive logarithmic term and a multiplicative constant. Overall these results imply that the betting CI~(and CS) admit stronger theoretical guarantees than the existing state-of-the-art EB-CI~(and CS); both in the asymptotic and finite-sample regimes.  ( 2 min )

Parameter Efficient Fine Tuning (PEFT) techniques have recently experienced significant growth and have been extensively employed to adapt large vision and language models to various domains, enabling satisfactory model performance with minimal computational needs. Despite these advances, more research has yet to delve into potential PEFT applications in real-life scenarios, particularly in the critical domains of remote sensing and crop monitoring. The diversity of climates across different regions and the need for comprehensive large-scale datasets have posed significant obstacles to accurately identify crop types across varying geographic locations and changing growing seasons. This study seeks to bridge this gap by comprehensively exploring the feasibility of cross-area and cross-year out-of-distribution generalization using the State-of-the-Art (SOTA) wheat crop monitoring model. The aim of this work is to explore PEFT approaches for crop monitoring. Specifically, we focus on adapting the SOTA TSViT model to address winter wheat field segmentation, a critical task for crop monitoring and food security. This adaptation process involves integrating different PEFT techniques, including BigFit, LoRA, Adaptformer, and prompt tuning. Using PEFT techniques, we achieved notable results comparable to those achieved using full fine-tuning methods while training only a mere 0.7% parameters of the whole TSViT architecture. The in-house labeled data-set, referred to as the Beqaa-Lebanon dataset, comprises high-quality annotated polygons for wheat and non-wheat classes with a total surface of 170 kmsq, over five consecutive years. Using Sentinel-2 images, our model achieved a 84% F1-score. We intend to publicly release the Lebanese winter wheat data set, code repository, and model weights.  ( 3 min )

The ongoing challenges in time series anomaly detection (TSAD), notably the scarcity of anomaly labels and the variability in anomaly lengths and shapes, have led to the need for a more efficient solution. As limited anomaly labels hinder traditional supervised models in TSAD, various SOTA deep learning techniques, such as self-supervised learning, have been introduced to tackle this issue. However, they encounter difficulties handling variations in anomaly lengths and shapes, limiting their adaptability to diverse anomalies. Additionally, many benchmark datasets suffer from the problem of having explicit anomalies that even random functions can detect. This problem is exacerbated by ill-posed evaluation metrics, known as point adjustment (PA), which can result in inflated model performance. In this context, we propose a novel self-supervised learning based Tri-domain Anomaly Detector (TriAD), which addresses these challenges by modeling features across three data domains - temporal, frequency, and residual domains - without relying on anomaly labels. Unlike traditional contrastive learning methods, TriAD employs both inter-domain and intra-domain contrastive loss to learn common attributes among normal data and differentiate them from anomalies. Additionally, our approach can detect anomalies of varying lengths by integrating with a discord discovery algorithm. It is worth noting that this study is the first to reevaluate the deep learning potential in TSAD, utilizing both rigorously designed datasets (i.e., UCR Archive) and evaluation metrics (i.e., PA%K and affiliation). Through experimental results on the UCR dataset, TriAD achieves an impressive three-fold increase in PA%K based F1 scores over SOTA deep learning models, and 50% increase of accuracy as compared to SOTA discord discovery algorithms.  ( 3 min )

In the field of statistical physics, machine learning has gained significant popularity and has achieved remarkable results in recent studies on phase transitions.In this paper, we apply Principal Component Analysis (PCA) and Autoencoder(AE) based on Unsupervised learning to study the various configurations of the percolation model in equilibrium phase transition. In certain phase transition models, such as the DP model in non-equilibrium phase transitions, the order parameter is particle density. However, in some other phase transition models, such as the percolation model, it is not. This study involved randomizing and selecting percolation graphs to be used as input for a neural network, and analyzed the obtained results, indicating that the outputs of the single latent variable of AE and the first principal component of PCA are signals related to particle density.  ( 2 min )

We introduce a generalizable approach that combines perturbation method and one-shot transfer learning to solve nonlinear ODEs with a single polynomial term, using Physics-Informed Neural Networks (PINNs). Our method transforms non-linear ODEs into linear ODE systems, trains a PINN across varied conditions, and offers a closed-form solution for new instances within the same non-linear ODE class. We demonstrate the effectiveness of this approach on the Duffing equation and suggest its applicability to similarly structured PDEs and ODE systems.  ( 2 min )

In recent years, Large Language Models (LLM) have emerged as pivotal tools in various applications. However, these models are susceptible to adversarial prompt attacks, where attackers can carefully curate input strings that lead to undesirable outputs. The inherent vulnerability of LLMs stems from their input-output mechanisms, especially when presented with intensely out-of-distribution (OOD) inputs. This paper proposes a token-level detection method to identify adversarial prompts, leveraging the LLM's capability to predict the next token's probability. We measure the degree of the model's perplexity and incorporate neighboring token information to encourage the detection of contiguous adversarial prompt sequences. As a result, we propose two methods: one that identifies each token as either being part of an adversarial prompt or not, and another that estimates the probability of each token being part of an adversarial prompt.  ( 2 min )

Is In-Context Learning (ICL) implicitly equivalent to Gradient Descent (GD)? Several recent works draw analogies between the dynamics of GD and the emergent behavior of ICL in large language models. However, these works make assumptions far from the realistic natural language setting in which language models are trained. Therefore, such discrepancies between theory and practice necessitate further investigation to validate their applicability. We start by highlighting the assumptions in prior works that construct Transformer weights to simulate gradient descent. Their experiments with training Transformers on ICL objective, inconsistencies in the order sensitivity of ICL and GD, sparsity of the constructed weights, and sensitivity to parameter changes are some examples of mismatch from the real-world setting. Furthermore, we probe and compare the ICL vs. GD hypothesis in a natural setting. We conduct comprehensive empirical analyses on language models pretrained on natural data (LLaMa-7B). Our comparisons on various performance metrics highlight the inconsistent behavior of ICL and GD as a function of various factors such as datasets, models, and the number of demonstrations. We observe that ICL and GD modify the output distribution of language models differently. These results indicate that the equivalence between ICL and GD is an open hypothesis, requires nuanced considerations, and calls for further studies.  ( 2 min )

With the growing imbalance between limited medical resources and escalating demands, AI-based clinical tasks have become paramount. As a sub-domain, medication recommendation aims to amalgamate longitudinal patient history with medical knowledge, assisting physicians in prescribing safer and more accurate medication combinations. Existing works ignore the inherent long-tailed distribution of medical data, have uneven learning strengths for hot and sparse data, and fail to balance safety and accuracy. To address the above limitations, we propose StratMed, which introduces a stratification strategy that overcomes the long-tailed problem and achieves fuller learning of sparse data. It also utilizes a dual-property network to address the issue of mutual constraints on the safety and accuracy of medication combinations, synergistically enhancing these two properties. Specifically, we construct a pre-training method using deep learning networks to obtain medication and disease representations. After that, we design a pyramid-like stratification method based on relevance to strengthen the expressiveness of sparse data. Based on this relevance, we design two graph structures to express medication safety and precision at the same level to obtain patient representations. Finally, the patient's historical clinical information is fitted to generate medication combinations for the current health condition. We employed the MIMIC-III dataset to evaluate our model against state-of-the-art methods in three aspects comprehensively. Compared to the sub-optimal baseline model, our model reduces safety risk by 15.08\%, improves accuracy by 0.36\%, and reduces training time consumption by 81.66\%.  ( 3 min )

We study the notion of a generalization bound being uniformly tight, meaning that the difference between the bound and the population loss is small for all learning algorithms and all population distributions. Numerous generalization bounds have been proposed in the literature as potential explanations for the ability of neural networks to generalize in the overparameterized setting. However, in their paper ``Fantastic Generalization Measures and Where to Find Them,'' Jiang et al. (2020) examine more than a dozen generalization bounds, and show empirically that none of them are uniformly tight. This raises the question of whether uniformly-tight generalization bounds are at all possible in the overparameterized setting. We consider two types of generalization bounds: (1) bounds that may depend on the training set and the learned hypothesis (e.g., margin bounds). We prove mathematically that no such bound can be uniformly tight in the overparameterized setting; (2) bounds that may in addition also depend on the learning algorithm (e.g., stability bounds). For these bounds, we show a trade-off between the algorithm's performance and the bound's tightness. Namely, if the algorithm achieves good accuracy on certain distributions, then no generalization bound can be uniformly tight for it in the overparameterized setting. We explain how these formal results can, in our view, inform research on generalization bounds for neural networks, while stressing that other interpretations of these results are also possible.  ( 3 min )

The inherently diverse and uncertain nature of trajectories presents a formidable challenge in accurately modeling them. Motion prediction systems must effectively learn spatial and temporal information from the past to forecast the future trajectories of the agent. Many existing methods learn temporal motion via separate components within stacked models to capture temporal features. Furthermore, prediction methods often operate under the assumption that observed trajectory waypoint sequences are complete, disregarding scenarios where missing values may occur, which can influence their performance. Moreover, these models may be biased toward particular waypoint sequences when making predictions. We propose a novel approach called Temporal Waypoint Dropping (TWD) that explicitly incorporates temporal dependencies during the training of a trajectory prediction model. By stochastically dropping waypoints from past observed trajectories, the model is forced to learn the underlying temporal representation from the remaining waypoints, resulting in an improved model. Incorporating stochastic temporal waypoint dropping into the model learning process significantly enhances its performance in scenarios with missing values. Experimental results demonstrate our approach's substantial improvement in trajectory prediction capabilities. Our approach can complement existing trajectory prediction methods to improve their prediction accuracy. We evaluate our proposed approach on three datasets: NBA Sports VU, ETH-UCY, and TrajNet++.  ( 2 min )

Reward functions are difficult to design and often hard to align with human intent. Preference-based Reinforcement Learning (RL) algorithms address these problems by learning reward functions from human feedback. However, the majority of preference-based RL methods na\"ively combine supervised reward models with off-the-shelf RL algorithms. Contemporary approaches have sought to improve performance and query complexity by using larger and more complex reward architectures such as transformers. Instead of using highly complex architectures, we develop a new and parameter-efficient algorithm, Inverse Preference Learning (IPL), specifically designed for learning from offline preference data. Our key insight is that for a fixed policy, the $Q$-function encodes all information about the reward function, effectively making them interchangeable. Using this insight, we completely eliminate the need for a learned reward function. Our resulting algorithm is simpler and more parameter-efficient. Across a suite of continuous control and robotics benchmarks, IPL attains competitive performance compared to more complex approaches that leverage transformer-based and non-Markovian reward functions while having fewer algorithmic hyperparameters and learned network parameters. Our code is publicly released.  ( 2 min )

Zero-shot Dialogue State Tracking (DST) addresses the challenge of acquiring and annotating task-oriented dialogues, which can be time-consuming and costly. However, DST extends beyond simple slot-filling and requires effective updating strategies for tracking dialogue state as conversations progress. In this paper, we propose ParsingDST, a new In-Context Learning (ICL) method, to introduce additional intricate updating strategies in zero-shot DST. Our approach reformulates the DST task by leveraging powerful Large Language Models (LLMs) and translating the original dialogue text to JSON through semantic parsing as an intermediate state. We also design a novel framework that includes more modules to ensure the effectiveness of updating strategies in the text-to-JSON process. Experimental results demonstrate that our approach outperforms existing zero-shot DST methods on MultiWOZ, exhibiting significant improvements in Joint Goal Accuracy (JGA) and slot accuracy compared to existing ICL methods. Our code has been released.  ( 2 min )

The multi-armed bandit (MAB) models have attracted significant research attention due to their applicability and effectiveness in various real-world scenarios such as resource allocation, online advertising, and dynamic pricing. As an important branch, the adversarial MAB problems with delayed feedback have been proposed and studied by many researchers recently where a conceptual adversary strategically selects the reward distributions associated with each arm to challenge the learning algorithm and the agent experiences a delay between taking an action and receiving the corresponding reward feedback. However, the existing models restrict the feedback to be generated from only one user, which makes models inapplicable to the prevailing scenarios of multiple users (e.g. ad recommendation for a group of users). In this paper, we consider that the delayed feedback results are from multiple users and are unrestricted on internal distribution. In contrast, the feedback delay is arbitrary and unknown to the player in advance. Also, for different users in a round, the delays in feedback have no assumption of latent correlation. Thus, we formulate an adversarial MAB problem with multi-user delayed feedback and design a modified EXP3 algorithm MUD-EXP3, which makes a decision at each round by considering the importance-weighted estimator of the received feedback from different users. On the premise of known terminal round index $T$, the number of users $M$, the number of arms $N$, and upper bound of delay $d_{max}$, we prove a regret of $\mathcal{O}(\sqrt{TM^2\ln{N}(N\mathrm{e}+4d_{max})})$. Furthermore, for the more common case of unknown $T$, an adaptive algorithm AMUD-EXP3 is proposed with a sublinear regret with respect to $T$. Finally, extensive experiments are conducted to indicate the correctness and effectiveness of our algorithms.  ( 3 min )

Developing autonomous agents that can interact with changing environments is an open challenge in machine learning. Robustness is particularly important in these settings as agents are often fit offline on expert demonstrations but deployed online where they must generalize to the closed feedback loop within the environment. In this work, we explore the application of recurrent neural networks to tasks of this nature and understand how a parameterization of their recurrent connectivity influences robustness in closed-loop settings. Specifically, we represent the recurrent connectivity as a function of rank and sparsity and show both theoretically and empirically that modulating these two variables has desirable effects on network dynamics. The proposed low-rank, sparse connectivity induces an interpretable prior on the network that proves to be most amenable for a class of models known as closed-form continuous-time neural networks (CfCs). We find that CfCs with fewer parameters can outperform their full-rank, fully-connected counterparts in the online setting under distribution shift. This yields memory-efficient and robust agents while opening a new perspective on how we can modulate network dynamics through connectivity.  ( 2 min )

We present a generative approach to forecast long-term future human behavior in 3D, requiring only weak supervision from readily available 2D human action data. This is a fundamental task enabling many downstream applications. The required ground-truth data is hard to capture in 3D (mocap suits, expensive setups) but easy to acquire in 2D (simple RGB cameras). Thus, we design our method to only require 2D RGB data while being able to generate 3D human motion sequences. We use a differentiable 2D projection scheme in an autoregressive manner for weak supervision, and an adversarial loss for 3D regularization. Our method predicts long and complex behavior sequences (e.g. cooking, assembly) consisting of multiple sub-actions. We tackle this in a semantically hierarchical manner, jointly predicting high-level coarse action labels together with their low-level fine-grained realizations as characteristic 3D human poses. We observe that these two action representations are coupled in nature, and joint prediction benefits both action and pose forecasting. Our experiments demonstrate the complementary nature of joint action and 3D pose prediction: our joint approach outperforms each task treated individually, enables robust longer-term sequence prediction, and outperforms alternative approaches to forecast actions and characteristic 3D poses.  ( 2 min )

Seamless human-robot manipulation in close proximity relies on accurate forecasts of human motion. While there has been significant progress in learning forecast models at scale, when applied to manipulation tasks, these models accrue high errors at critical transition points leading to degradation in downstream planning performance. Our key insight is that instead of predicting the most likely human motion, it is sufficient to produce forecasts that capture how future human motion would affect the cost of a robot's plan. We present ManiCast, a novel framework that learns cost-aware human forecasts and feeds them to a model predictive control planner to execute collaborative manipulation tasks. Our framework enables fluid, real-time interactions between a human and a 7-DoF robot arm across a number of real-world tasks such as reactive stirring, object handovers, and collaborative table setting. We evaluate both the motion forecasts and the end-to-end forecaster-planner system against a range of learned and heuristic baselines while additionally contributing new datasets. We release our code and datasets at https://portal-cornell.github.io/manicast/.  ( 2 min )

In consequential domains, it is often impossible to compel individuals to take treatment, so that optimal policy rules are merely suggestions in the presence of human non-adherence to treatment recommendations. In these same domains, there may be heterogeneity both in who responds in taking-up treatment, and heterogeneity in treatment efficacy. While optimal treatment rules can maximize causal outcomes across the population, access parity constraints or other fairness considerations can be relevant in the case of encouragement. For example, in social services, a persistent puzzle is the gap in take-up of beneficial services among those who may benefit from them the most. When in addition the decision-maker has distributional preferences over both access and average outcomes, the optimal decision rule changes. We study causal identification, statistical variance-reduced estimation, and robust estimation of optimal treatment rules, including under potential violations of positivity. We consider fairness constraints such as demographic parity in treatment take-up, and other constraints, via constrained optimization. Our framework can be extended to handle algorithmic recommendations under an often-reasonable covariate-conditional exclusion restriction, using our robustness checks for lack of positivity in the recommendation. We develop a two-stage algorithm for solving over parametrized policy classes under general constraints to obtain variance-sensitive regret bounds. We illustrate the methods in two case studies based on data from randomized encouragement to enroll in insurance and from pretrial supervised release with electronic monitoring.  ( 2 min )

To process sensor data in the Internet of Things(IoTs), embedded deep learning for 1-dimensional data is an important technique. In the past, CNNs were frequently used because they are simple to optimise for special embedded hardware such as FPGAs. This work proposes a novel LSTM cell optimisation aimed at energy-efficient inference on end devices. Using the traffic speed prediction as a case study, a vanilla LSTM model with the optimised LSTM cell achieves 17534 inferences per second while consuming only 3.8 $\mu$J per inference on the FPGA XC7S15 from Spartan-7 family. It achieves at least 5.4$\times$ faster throughput and 1.37$\times$ more energy efficient than existing approaches.  ( 2 min )

Artificial Intelligence (AI) has made its way into various scientific fields, providing astonishing improvements over existing algorithms for a wide variety of tasks. In recent years, there have been severe concerns over the trustworthiness of AI technologies. The scientific community has focused on the development of trustworthy AI algorithms. However, machine and deep learning algorithms, popular in the AI community today, depend heavily on the data used during their development. These learning algorithms identify patterns in the data, learning the behavioral objective. Any flaws in the data have the potential to translate directly into algorithms. In this study, we discuss the importance of Responsible Machine Learning Datasets and propose a framework to evaluate the datasets through a responsible rubric. While existing work focuses on the post-hoc evaluation of algorithms for their trustworthiness, we provide a framework that considers the data component separately to understand its role in the algorithm. We discuss responsible datasets through the lens of fairness, privacy, and regulatory compliance and provide recommendations for constructing future datasets. After surveying over 100 datasets, we use 60 datasets for analysis and demonstrate that none of these datasets is immune to issues of fairness, privacy preservation, and regulatory compliance. We provide modifications to the ``datasheets for datasets" with important additions for improved dataset documentation. With governments around the world regularizing data protection laws, the method for the creation of datasets in the scientific community requires revision. We believe this study is timely and relevant in today's era of AI.  ( 3 min )

We consider the problem of sequential change detection, where the goal is to design a scheme for detecting any changes in a parameter or functional $\theta$ of the data stream distribution that has small detection delay, but guarantees control on the frequency of false alarms in the absence of changes. In this paper, we describe a simple reduction from sequential change detection to sequential estimation using confidence sequences: we begin a new $(1-\alpha)$-confidence sequence at each time step, and proclaim a change when the intersection of all active confidence sequences becomes empty. We prove that the average run length is at least $1/\alpha$, resulting in a change detection scheme with minimal structural assumptions~(thus allowing for possibly dependent observations, and nonparametric distribution classes), but strong guarantees. Our approach bears an interesting parallel with the reduction from change detection to sequential testing of Lorden (1971) and the e-detector of Shin et al. (2022).  ( 2 min )

Data valuation aims to quantify the usefulness of individual data sources in training machine learning (ML) models, and is a critical aspect of data-centric ML research. However, data valuation faces significant yet frequently overlooked privacy challenges despite its importance. This paper studies these challenges with a focus on KNN-Shapley, one of the most practical data valuation methods nowadays. We first emphasize the inherent privacy risks of KNN-Shapley, and demonstrate the significant technical difficulties in adapting KNN-Shapley to accommodate differential privacy (DP). To overcome these challenges, we introduce TKNN-Shapley, a refined variant of KNN-Shapley that is privacy-friendly, allowing for straightforward modifications to incorporate DP guarantee (DP-TKNN-Shapley). We show that DP-TKNN-Shapley has several advantages and offers a superior privacy-utility tradeoff compared to naively privatized KNN-Shapley in discerning data quality. Moreover, even non-private TKNN-Shapley achieves comparable performance as KNN-Shapley. Overall, our findings suggest that TKNN-Shapley is a promising alternative to KNN-Shapley, particularly for real-world applications involving sensitive data.  ( 2 min )

Counterfactual reasoning, a fundamental aspect of human cognition, involves contemplating alternatives to established facts or past events, significantly enhancing our abilities in planning and decision-making. In light of the advancements in current multi-modal large language models, we explore their effectiveness in counterfactual reasoning. To facilitate this investigation, we introduce a novel dataset, C-VQA, specifically designed to test the counterfactual reasoning capabilities of modern multi-modal large language models. This dataset is constructed by infusing original questions with counterfactual presuppositions, spanning various types such as numerical and boolean queries. It encompasses a mix of real and synthetic data, representing a wide range of difficulty levels. Our thorough evaluations of contemporary vision-language models using this dataset have revealed substantial performance drops, with some models showing up to a 40\% decrease, highlighting a significant gap between current models and human-like vision reasoning capabilities. We hope our dataset will serve as a vital benchmark for evaluating the counterfactual reasoning capabilities of models. Code and dataset are publicly available at https://bzhao.me/C-VQA/.  ( 2 min )

Federated Learning (FL) aggregates locally trained models from individual clients to construct a global model. While FL enables learning a model with data privacy, it often suffers from significant performance degradation when client data distributions are heterogeneous. Many previous FL algorithms have addressed this issue by introducing various proximal restrictions. These restrictions aim to encourage global alignment by constraining the deviation of local learning from the global objective. However, they inherently limit local learning by interfering with the original local objectives. Recently, an alternative approach has emerged to improve local learning generality. By obtaining local models within a smooth loss landscape, this approach mitigates conflicts among different local objectives of the clients. Yet, it does not ensure stable global alignment, as local learning does not take the global objective into account. In this study, we propose Federated Stability on Learning (FedSoL), which combines both the concepts of global alignment and local generality. In FedSoL, the local learning seeks a parameter region robust against proximal perturbations. This strategy introduces an implicit proximal restriction effect in local learning while maintaining the original local objective for parameter update. Our experiments show that FedSoL consistently achieves state-of-the-art performance on various setups.  ( 2 min )

Recent advances in text-to-image generation models have unlocked vast potential for visual creativity. However, these models struggle with generation of consistent characters, a crucial aspect for numerous real-world applications such as story visualization, game development asset design, advertising, and more. Current methods typically rely on multiple pre-existing images of the target character or involve labor-intensive manual processes. In this work, we propose a fully automated solution for consistent character generation, with the sole input being a text prompt. We introduce an iterative procedure that, at each stage, identifies a coherent set of images sharing a similar identity and extracts a more consistent identity from this set. Our quantitative analysis demonstrates that our method strikes a better balance between prompt alignment and identity consistency compared to the baseline methods, and these findings are reinforced by a user study. To conclude, we showcase several practical applications of our approach. Project page is available at https://omriavrahami.com/the-chosen-one  ( 2 min )

Counterfactuals can offer valuable insights by answering what would have been observed under altered circumstances, conditional on a factual observation. Whereas the classical interventional interpretation of counterfactuals has been studied extensively, backtracking constitutes a less studied alternative the backtracking principle has emerged as an alternative philosophy where all causal laws are kept intact. In the present work, we introduce a practical method for computing backtracking counterfactuals in structural causal models that consist of deep generative components. To this end, we impose conditions on the structural assignments that enable the generation of counterfactuals by solving a tractable constrained optimization problem in the structured latent space of a causal model. Our formulation also facilitates a comparison with methods in the field of counterfactual explanations. Compared to these, our method represents a versatile, modular and causally compliant alternative. We demonstrate these properties experimentally on a modified version of MNIST and CelebA.  ( 2 min )

The ability to construct a realistic simulator of financial exchanges, including reproducing the dynamics of the limit order book, can give insight into many counterfactual scenarios, such as a flash crash, a margin call, or changes in macroeconomic outlook. In recent years, agent-based models have been developed that reproduce many features of an exchange, as summarised by a set of stylised facts and statistics. However, the ability to calibrate simulators to a specific period of trading remains an open challenge. In this work, we develop a novel approach to the calibration of market simulators by leveraging recent advances in deep learning, specifically using neural density estimators and embedding networks. We demonstrate that our approach is able to correctly identify high probability parameter sets, both when applied to synthetic and historical data, and without reliance on manually selected or weighted ensembles of stylised facts.  ( 2 min )

Backdoor attacks have become a major security threat for deploying machine learning models in security-critical applications. Existing research endeavors have proposed many defenses against backdoor attacks. Despite demonstrating certain empirical defense efficacy, none of these techniques could provide a formal and provable security guarantee against arbitrary attacks. As a result, they can be easily broken by strong adaptive attacks, as shown in our evaluation. In this work, we propose TextGuard, the first provable defense against backdoor attacks on text classification. In particular, TextGuard first divides the (backdoored) training data into sub-training sets, achieved by splitting each training sentence into sub-sentences. This partitioning ensures that a majority of the sub-training sets do not contain the backdoor trigger. Subsequently, a base classifier is trained from each sub-training set, and their ensemble provides the final prediction. We theoretically prove that when the length of the backdoor trigger falls within a certain threshold, TextGuard guarantees that its prediction will remain unaffected by the presence of the triggers in training and testing inputs. In our evaluation, we demonstrate the effectiveness of TextGuard on three benchmark text classification tasks, surpassing the certification accuracy of existing certified defenses against backdoor attacks. Furthermore, we propose additional strategies to enhance the empirical performance of TextGuard. Comparisons with state-of-the-art empirical defenses validate the superiority of TextGuard in countering multiple backdoor attacks. Our code and data are available at https://github.com/AI-secure/TextGuard.  ( 3 min )

This paper introduces an effective and practical step toward approximate Bayesian inference in on-policy actor-critic deep reinforcement learning. This step manifests as three simple modifications to the Asynchronous Advantage Actor-Critic (A3C) algorithm: (1) applying a ReLU function to advantage estimates, (2) spectral normalization of actor-critic weights, and (3) incorporating dropout as a Bayesian approximation. We prove under standard assumptions that restricting policy updates to positive advantages optimizes for value by maximizing a lower bound on the value function plus an additive term. We show that the additive term is bounded proportional to the Lipschitz constant of the value function, which offers theoretical grounding for spectral normalization of critic weights. Finally, our application of dropout corresponds to approximate Bayesian inference over both the actor and critic parameters, which enables prudent state-aware exploration around the modes of the actor via Thompson sampling. Extensive empirical evaluations on diverse benchmarks reveal the superior performance of our approach compared to existing on- and off-policy algorithms. We demonstrate significant improvements for median and interquartile mean metrics over PPO, SAC, and TD3 on the MuJoCo continuous control benchmark. Moreover, we see improvement over PPO in the challenging ProcGen generalization benchmark.  ( 3 min )

Normalizing flows (NF) recently gained attention as a way to construct generative networks with exact likelihood calculation out of composable layers. However, NF is restricted to dimension-preserving transformations. Surjection VAE (SurVAE) has been proposed to extend NF to dimension-altering transformations. Such networks are desirable because they are expressive and can be precisely trained. We show that the approaches are a re-invention of PDF projection, which appeared over twenty years earlier and is much further developed.  ( 2 min )

Vision Transformers (ViT) and Visual Prompt Tuning (VPT) achieve state-of-the-art performance with improved efficiency in various computer vision tasks. This suggests a promising paradigm shift of adapting pre-trained ViT models to Federated Learning (FL) settings. However, the challenge of data heterogeneity among FL clients presents a significant hurdle in effectively deploying ViT models. Existing Generalized FL (GFL) and Personalized FL (PFL) methods have limitations in balancing performance across both global and local data distributions. In this paper, we present a novel algorithm, SGPT, that integrates GFL and PFL approaches by employing a unique combination of both shared and group-specific prompts. This design enables SGPT to capture both common and group-specific features. A key feature of SGPT is its prompt selection module, which facilitates the training of a single global model capable of automatically adapting to diverse local client data distributions without the need for local fine-tuning. To effectively train the prompts, we utilize block coordinate descent (BCD), learning from common feature information (shared prompts), and then more specialized knowledge (group prompts) iteratively. Theoretically, we justify that learning the proposed prompts can reduce the gap between global and local performance. Empirically, we conduct experiments on both label and feature heterogeneity settings in comparison with state-of-the-art baselines, along with extensive ablation studies, to substantiate the superior performance of SGPT.  ( 3 min )

Training large AI models typically requires large-scale datasets in the machine learning process, making training and parameter-tuning process both time-consuming and costly. Some researchers address this problem by carefully synthesizing a very small number of highly representative and informative samples from real-world datasets. This approach, known as Dataset Distillation (DD), proposes a perspective for data-efficient learning. Despite recent progress in this field, the performance of existing methods still cannot meet expectations, and distilled datasets cannot effectively replace original datasets. In this paper, unlike previous methods that focus solely on improving the effectiveness of student distillation, we recognize and leverage the important mutual influence between expert and student models. We observed that the smoothness of expert trajectories has a significant impact on subsequent student parameter alignment. Based on this, we propose an effective DD framework named AST, standing for Alignment with Smooth and high-quality expert Trajectories. We devise the integration of clipping loss and gradient penalty to regulate the rate of parameter changes in expert trajectory generation. To further refine the student parameter alignment with expert trajectory, we put forward representative initialization for the synthetic dataset and balanced inner-loop loss in response to the sensitivity exhibited towards randomly initialized variables during distillation. We also propose two enhancement strategies, namely intermediate matching loss and weight perturbation, to mitigate the potential occurrence of cumulative errors. We conduct extensive experiments on datasets of different scales, sizes, and resolutions. The results demonstrate that the proposed method significantly outperforms prior methods.  ( 3 min )

Gradient sparsification is a communication optimisation technique for scaling and accelerating distributed deep neural network (DNN) training. It reduces the increasing communication traffic for gradient aggregation. However, existing sparsifiers have poor scalability because of the high computational cost of gradient selection and/or increase in communication traffic. In particular, an increase in communication traffic is caused by gradient build-up and inappropriate threshold for gradient selection. To address these challenges, we propose a novel gradient sparsification method called MiCRO. In MiCRO, the gradient vector is partitioned, and each partition is assigned to the corresponding worker. Each worker then selects gradients from its partition, and the aggregated gradients are free from gradient build-up. Moreover, MiCRO estimates the accurate threshold to maintain the communication traffic as per user requirement by minimising the compression ratio error. MiCRO enables near-zero cost gradient sparsification by solving existing problems that hinder the scalability and acceleration of distributed DNN training. In our extensive experiments, MiCRO outperformed state-of-the-art sparsifiers with an outstanding convergence rate.  ( 2 min )

The performance of Hamiltonian Monte Carlo simulations crucially depends on both the integration timestep and the number of integration steps. We present an adaptive general-purpose framework to automatically tune such parameters, based on a local loss function which promotes the fast exploration of phase-space. We show that a good correspondence between loss and autocorrelation time can be established, allowing for gradient-based optimization using a fully-differentiable set-up. The loss is constructed in such a way that it also allows for gradient-driven learning of a distribution over the number of integration steps. Our approach is demonstrated for the one-dimensional harmonic oscillator and alanine dipeptide, a small protein common as a test case for simulation methods. Through the application to the harmonic oscillator, we highlight the importance of not using a fixed timestep to avoid a rugged loss surface with many local minima, otherwise trapping the optimization. In the case of alanine dipeptide, by tuning the only free parameter of our loss definition, we find a good correspondence between it and the autocorrelation times, resulting in a $>100$ fold speed up in optimization of simulation parameters compared to a grid-search. For this system, we also extend the integrator to allow for atom-dependent timesteps, providing a further reduction of $25\%$ in autocorrelation times.  ( 2 min )

Community detection and graph clustering are essential for unsupervised data exploration and understanding the high-level organisation of networked systems. Recently, graph clustering has received attention as a primary task for graph neural networks. Although hierarchical graph pooling has been shown to improve performance in graph and node classification tasks, it performs poorly in identifying meaningful clusters. Community detection has a long history in network science, but typically relies on optimising objective functions with custom-tailored search algorithms, not leveraging recent advances in deep learning, particularly from graph neural networks. In this paper, we narrow this gap between the deep learning and network science communities. We consider the map equation, an information-theoretic objective function for unsupervised community detection. Expressing it in a fully differentiable tensor form that produces soft cluster assignments, we optimise the map equation with deep learning through gradient descent. More specifically, the reformulated map equation is a loss function compatible with any graph neural network architecture, enabling flexible clustering and graph pooling that clusters both graph structure and data features in an end-to-end way, automatically finding an optimum number of clusters without explicit regularisation by following the minimum description length principle. We evaluate our approach experimentally using different neural network architectures for unsupervised clustering in synthetic and real data. Our results show that our approach achieves competitive performance against baselines, naturally detects overlapping communities, and avoids over-partitioning sparse graphs.  ( 2 min )

Graph generation poses a significant challenge as it involves predicting a complete graph with multiple nodes and edges based on simply a given label. This task also carries fundamental importance to numerous real-world applications, including de-novo drug and molecular design. In recent years, several successful methods have emerged in the field of graph generation. However, these approaches suffer from two significant shortcomings: (1) the underlying Graph Neural Network (GNN) architectures used in these methods are often underexplored; and (2) these methods are often evaluated on only a limited number of metrics. To fill this gap, we investigate the expressiveness of GNNs under the context of the molecular graph generation task, by replacing the underlying GNNs of graph generative models with more expressive GNNs. Specifically, we analyse the performance of six GNNs on six different molecular generative objectives on the ZINC-250k dataset in two different generative frameworks: autoregressive generation models, such as GCPN and GraphAF, and one-shot generation models, such as GraphEBM. Through our extensive experiments, we demonstrate that advanced GNNs can indeed improve the performance of GCPN, GraphAF, and GraphEBM on molecular generation tasks, but GNN expressiveness is not a necessary condition for a good GNN-based generative model. Moreover, we show that GCPN and GraphAF with advanced GNNs can achieve state-of-the-art results across 17 other non-GNN-based graph generative approaches, such as variational autoencoders and Bayesian optimisation models, on the proposed molecular generative objectives (DRD2, Median1, Median2), which are important metrics for de-novo molecular design.  ( 3 min )

Data privacy and long-tailed distribution are the norms rather than the exception in many real-world tasks. This paper investigates a federated long-tailed learning (Fed-LT) task in which each client holds a locally heterogeneous dataset; if the datasets can be globally aggregated, they jointly exhibit a long-tailed distribution. Under such a setting, existing federated optimization and/or centralized long-tailed learning methods hardly apply due to challenges in (a) characterizing the global long-tailed distribution under privacy constraints and (b) adjusting the local learning strategy to cope with the head-tail imbalance. In response, we propose a method termed $\texttt{Fed-GraB}$, comprised of a Self-adjusting Gradient Balancer (SGB) module that re-weights clients' gradients in a closed-loop manner, based on the feedback of global long-tailed distribution evaluated by a Direct Prior Analyzer (DPA) module. Using $\texttt{Fed-GraB}$, clients can effectively alleviate the distribution drift caused by data heterogeneity during the model training process and obtain a global model with better performance on the minority classes while maintaining the performance of the majority classes. Extensive experiments demonstrate that $\texttt{Fed-GraB}$ achieves state-of-the-art performance on representative datasets such as CIFAR-10-LT, CIFAR-100-LT, ImageNet-LT, and iNaturalist.  ( 3 min )

Membership inference attacks allow adversaries to determine whether a particular example was contained in the model's training dataset. While previous works have confirmed the feasibility of such attacks in various applications, none has focused on speaker recognition (SR), a promising voice-based biometric recognition technique. In this work, we propose SLMIA-SR, the first membership inference attack tailored to SR. In contrast to conventional example-level attack, our attack features speaker-level membership inference, i.e., determining if any voices of a given speaker, either the same as or different from the given inference voices, have been involved in the training of a model. It is particularly useful and practical since the training and inference voices are usually distinct, and it is also meaningful considering the open-set nature of SR, namely, the recognition speakers were often not present in the training data. We utilize intra-similarity and inter-dissimilarity, two training objectives of SR, to characterize the differences between training and non-training speakers and quantify them with two groups of features driven by carefully-established feature engineering to mount the attack. To improve the generalizability of our attack, we propose a novel mixing ratio training strategy to train attack models. To enhance the attack performance, we introduce voice chunk splitting to cope with the limited number of inference voices and propose to train attack models dependent on the number of inference voices. Our attack is versatile and can work in both white-box and black-box scenarios. Additionally, we propose two novel techniques to reduce the number of black-box queries while maintaining the attack performance. Extensive experiments demonstrate the effectiveness of SLMIA-SR.  ( 3 min )

Distributed deep neural networks (DNNs) have been shown to reduce the computational burden of mobile devices and decrease the end-to-end inference latency in edge computing scenarios. While distributed DNNs have been studied, to the best of our knowledge the resilience of distributed DNNs to adversarial action still remains an open problem. In this paper, we fill the existing research gap by rigorously analyzing the robustness of distributed DNNs against adversarial action. We cast this problem in the context of information theory and introduce two new measurements for distortion and robustness. Our theoretical findings indicate that (i) assuming the same level of information distortion, latent features are always more robust than input representations; (ii) the adversarial robustness is jointly determined by the feature dimension and the generalization capability of the DNN. To test our theoretical findings, we perform extensive experimental analysis by considering 6 different DNN architectures, 6 different approaches for distributed DNN and 10 different adversarial attacks to the ImageNet-1K dataset. Our experimental results support our theoretical findings by showing that the compressed latent representations can reduce the success rate of adversarial attacks by 88% in the best case and by 57% on the average compared to attacks to the input space.  ( 2 min )

In many real-world applications, due to recent developments in the privacy landscape, training data may be aggregated to preserve the privacy of sensitive training labels. In the learning from label proportions (LLP) framework, the dataset is partitioned into bags of feature-vectors which are available only with the sum of the labels per bag. A further restriction, which we call learning from bag aggregates (LBA) is where instead of individual feature-vectors, only the (possibly weighted) sum of the feature-vectors per bag is available. We study whether such aggregation techniques can provide privacy guarantees under the notion of label differential privacy (label-DP) previously studied in for e.g. [Chaudhuri-Hsu'11, Ghazi et al.'21, Esfandiari et al.'22]. It is easily seen that naive LBA and LLP do not provide label-DP. Our main result however, shows that weighted LBA using iid Gaussian weights with $m$ randomly sampled disjoint $k$-sized bags is in fact $(\varepsilon, \delta)$-label-DP for any $\varepsilon > 0$ with $\delta \approx \exp(-\Omega(\sqrt{k}))$ assuming a lower bound on the linear-mse regression loss. Further, the $\ell_2^2$-regressor which minimizes the loss on the aggregated dataset has a loss within $\left(1 + o(1)\right)$-factor of the optimum on the original dataset w.p. $\approx 1 - exp(-\Omega(m))$. We emphasize that no additive label noise is required. The analogous weighted-LLP does not however admit label-DP. Nevertheless, we show that if additive $N(0, 1)$ noise can be added to any constant fraction of the instance labels, then the noisy weighted-LLP admits similar label-DP guarantees without assumptions on the dataset, while preserving the utility of Lipschitz-bounded neural mse-regression tasks. Our work is the first to demonstrate that label-DP can be achieved by randomly weighted aggregation for regression tasks, using no or little additive noise.  ( 3 min )

This paper introduces Bayesian Flow Networks (BFNs), a new class of generative model in which the parameters of a set of independent distributions are modified with Bayesian inference in the light of noisy data samples, then passed as input to a neural network that outputs a second, interdependent distribution. Starting from a simple prior and iteratively updating the two distributions yields a generative procedure similar to the reverse process of diffusion models; however it is conceptually simpler in that no forward process is required. Discrete and continuous-time loss functions are derived for continuous, discretised and discrete data, along with sample generation procedures. Notably, the network inputs for discrete data lie on the probability simplex, and are therefore natively differentiable, paving the way for gradient-based sample guidance and few-step generation in discrete domains such as language modelling. The loss function directly optimises data compression and places no restrictions on the network architecture. In our experiments BFNs achieve competitive log-likelihoods for image modelling on dynamically binarized MNIST and CIFAR-10, and outperform all known discrete diffusion models on the text8 character-level language modelling task.  ( 2 min )

New methods for carbon dioxide removal are urgently needed to combat global climate change. Direct air capture (DAC) is an emerging technology to capture carbon dioxide directly from ambient air. Metal-organic frameworks (MOFs) have been widely studied as potentially customizable adsorbents for DAC. However, discovering promising MOF sorbents for DAC is challenging because of the vast chemical space to explore and the need to understand materials as functions of humidity and temperature. We explore a computational approach benefiting from recent innovations in machine learning (ML) and present a dataset named Open DAC 2023 (ODAC23) consisting of more than 38M density functional theory (DFT) calculations on more than 8,400 MOF materials containing adsorbed $CO_2$ and/or $H_2O$. ODAC23 is by far the largest dataset of MOF adsorption calculations at the DFT level of accuracy currently available. In addition to probing properties of adsorbed molecules, the dataset is a rich source of information on structural relaxation of MOFs, which will be useful in many contexts beyond specific applications for DAC. A large number of MOFs with promising properties for DAC are identified directly in ODAC23. We also trained state-of-the-art ML models on this dataset to approximate calculations at the DFT level. This open-source dataset and our initial ML models will provide an important baseline for future efforts to identify MOFs for a wide range of applications, including DAC.  ( 3 min )

The tongue surface houses a range of papillae that are integral to the mechanics and chemistry of taste and textural sensation. Although gustatory function of papillae is well investigated, the uniqueness of papillae within and across individuals remains elusive. Here, we present the first machine learning framework on 3D microscopic scans of human papillae (n = 2092), uncovering the uniqueness of geometric and topological features of papillae. The finer differences in shapes of papillae are investigated computationally based on a number of features derived from discrete differential geometry and computational topology. Interpretable machine learning techniques show that persistent homology features of the papillae shape are the most effective in predicting the biological variables. Models trained on these features with small volumes of data samples predict the type of papillae with an accuracy of 85%. The papillae type classification models can map the spatial arrangement of filiform and fungiform papillae on a surface. Remarkably, the papillae are found to be distinctive across individuals and an individual can be identified with an accuracy of 48% among the 15 participants from a single papillae. Collectively, this is the first unprecedented evidence demonstrating that tongue papillae can serve as a unique identifier inspiring new research direction for food preferences and oral diagnostics.  ( 3 min )

In the era of resource-intensive foundation models, efficient adaptation in downstream tasks has become paramount. Visual Prompting (VP), inspired by prompting in Large Language Models (LLMs), has emerged as a key transfer learning method in computer vision. Aligned with the growing significance of efficiency, research in model compression has become pivotal to alleviate the computational burden in both training and deploying over-parameterized neural networks. A key goal in model compression is the development of sparse models capable of matching or surpassing the performance of their over-parameterized, dense counterparts. While prior research has explored the impact of model sparsity on transfer learning, its effects on visual prompting-based transfer remain unclear. This study addresses this gap, revealing that model sparsity adversely affects the performance of visual prompting-based transfer, particularly in low-data-volume scenarios. Furthermore, our findings highlight the negative influence of sparsity on the calibration of downstream visual-prompted models. This empirical exploration calls for a nuanced understanding beyond accuracy in sparse settings, opening avenues for further research in Visual Prompting for sparse models. Code and logs can be accessed at https://github.com/landskape-ai/Reprogram_LT .  ( 2 min )

Let $\mathscr{F}_{n,d}$ be the class of all functions $f:\{-1,1\}^n\to[-1,1]$ on the $n$-dimensional discrete hypercube of degree at most $d$. In the first part of this paper, we prove that any (deterministic or randomized) algorithm which learns $\mathscr{F}_{n,d}$ with $L_2$-accuracy $\varepsilon$ requires at least $\Omega((1-\sqrt{\varepsilon})2^d\log n)$ queries for large enough $n$, thus establishing the sharpness as $n\to\infty$ of a recent upper bound of Eskenazis and Ivanisvili (2021). To do this, we show that the $L_2$-packing numbers $\mathsf{M}(\mathscr{F}_{n,d},\|\cdot\|_{L_2},\varepsilon)$ of the concept class $\mathscr{F}_{n,d}$ satisfy the two-sided estimate $$c(1-\varepsilon)2^d\log n \leq \log \mathsf{M}(\mathscr{F}_{n,d},\|\cdot\|_{L_2},\varepsilon) \leq \frac{2^{Cd}\log n}{\varepsilon^4}$$ for large enough $n$, where $c, C>0$ are universal constants. In the second part of the paper, we present a logarithmic upper bound for the randomized query complexity of classes of bounded approximate polynomials whose Fourier spectra are concentrated on few subsets. As an application, we prove new estimates for the number of random queries required to learn approximate juntas of a given degree, functions with rapidly decaying Fourier tails and constant depth circuits of given size. Finally, we obtain bounds for the number of queries required to learn the polynomial class $\mathscr{F}_{n,d}$ without error in the query and random example models.  ( 2 min )

Accurate sleep stage classification is significant for sleep health assessment. In recent years, several machine-learning based sleep staging algorithms have been developed , and in particular, deep-learning based algorithms have achieved performance on par with human annotation. Despite improved performance, a limitation of most deep-learning based algorithms is their black-box behavior, which have limited their use in clinical settings. Here, we propose a cross-modal transformer, which is a transformer-based method for sleep stage classification. The proposed cross-modal transformer consists of a novel cross-modal transformer encoder architecture along with a multi-scale one-dimensional convolutional neural network for automatic representation learning. Our method outperforms the state-of-the-art methods and eliminates the black-box behavior of deep-learning models by utilizing the interpretability aspect of the attention modules. Furthermore, our method provides considerable reductions in the number of parameters and training time compared to the state-of-the-art methods. Our code is available at https://github.com/Jathurshan0330/Cross-Modal-Transformer. A demo of our work can be found at https://bit.ly/Cross_modal_transformer_demo.  ( 2 min )

Model adaptation aims at solving the domain transfer problem under the constraint of only accessing the pretrained source models. With the increasing considerations of data privacy and transmission efficiency, this paradigm has been gaining recent popularity. This paper studies the vulnerability to universal attacks transferred from the source domain during model adaptation algorithms due to the existence of malicious providers. We explore both universal adversarial perturbations and backdoor attacks as loopholes on the source side and discover that they still survive in the target models after adaptation. To address this issue, we propose a model preprocessing framework, named AdaptGuard, to improve the security of model adaptation algorithms. AdaptGuard avoids direct use of the risky source parameters through knowledge distillation and utilizes the pseudo adversarial samples under adjusted radius to enhance the robustness. AdaptGuard is a plug-and-play module that requires neither robust pretrained models nor any changes for the following model adaptation algorithms. Extensive results on three commonly used datasets and two popular adaptation methods validate that AdaptGuard can effectively defend against universal attacks and maintain clean accuracy in the target domain simultaneously. We hope this research will shed light on the safety and robustness of transfer learning. Code is available at https://github.com/TomSheng21/AdaptGuard.  ( 2 min )

Weak supervision (WS) is a powerful method to build labeled datasets for training supervised models in the face of little-to-no labeled data. It replaces hand-labeling data with aggregating multiple noisy-but-cheap label estimates expressed by labeling functions (LFs). While it has been used successfully in many domains, weak supervision's application scope is limited by the difficulty of constructing labeling functions for domains with complex or high-dimensional features. To address this, a handful of methods have proposed automating the LF design process using a small set of ground truth labels. In this work, we introduce AutoWS-Bench-101: a framework for evaluating automated WS (AutoWS) techniques in challenging WS settings -- a set of diverse application domains on which it has been previously difficult or impossible to apply traditional WS techniques. While AutoWS is a promising direction toward expanding the application-scope of WS, the emergence of powerful methods such as zero-shot foundation models reveals the need to understand how AutoWS techniques compare or cooperate with modern zero-shot or few-shot learners. This informs the central question of AutoWS-Bench-101: given an initial set of 100 labels for each task, we ask whether a practitioner should use an AutoWS method to generate additional labels or use some simpler baseline, such as zero-shot predictions from a foundation model or supervised learning. We observe that in many settings, it is necessary for AutoWS methods to incorporate signal from foundation models if they are to outperform simple few-shot baselines, and AutoWS-Bench-101 promotes future research in this direction. We conclude with a thorough ablation study of AutoWS methods.  ( 3 min )

Differentially Private Stochastic Gradient Descent (DP-SGD) is a key method for applying privacy in the training of deep learning models. It applies isotropic Gaussian noise to gradients during training, which can perturb these gradients in any direction, damaging utility. Metric DP, however, can provide alternative mechanisms based on arbitrary metrics that might be more suitable for preserving utility. In this paper, we apply \textit{directional privacy}, via a mechanism based on the von Mises-Fisher (VMF) distribution, to perturb gradients in terms of \textit{angular distance} so that gradient direction is broadly preserved. We show that this provides both $\epsilon$-DP and $\epsilon d$-privacy for deep learning training, rather than the $(\epsilon, \delta)$-privacy of the Gaussian mechanism. Experiments on key datasets then indicate that the VMF mechanism can outperform the Gaussian in the utility-privacy trade-off. In particular, our experiments provide a direct empirical comparison of privacy between the two approaches in terms of their ability to defend against reconstruction and membership inference.  ( 2 min )

We analyze transformers from the perspective of iterative inference, seeking to understand how model predictions are refined layer by layer. To do so, we train an affine probe for each block in a frozen pretrained model, making it possible to decode every hidden state into a distribution over the vocabulary. Our method, the \emph{tuned lens}, is a refinement of the earlier ``logit lens'' technique, which yielded useful insights but is often brittle. We test our method on various autoregressive language models with up to 20B parameters, showing it to be more predictive, reliable and unbiased than the logit lens. With causal experiments, we show the tuned lens uses similar features to the model itself. We also find the trajectory of latent predictions can be used to detect malicious inputs with high accuracy. All code needed to reproduce our results can be found at https://github.com/AlignmentResearch/tuned-lens.  ( 2 min )

PyTorch has ascended as a premier machine learning framework, yet it lacks a native and comprehensive library for decision and control tasks suitable for large development teams dealing with complex real-world data and environments. To address this issue, we propose TorchRL, a generalistic control library for PyTorch that provides well-integrated, yet standalone components. We introduce a new and flexible PyTorch primitive, the TensorDict, which facilitates streamlined algorithm development across the many branches of Reinforcement Learning (RL) and control. We provide a detailed description of the building blocks and an extensive overview of the library across domains and tasks. Finally, we experimentally demonstrate its reliability and flexibility and show comparative benchmarks to demonstrate its computational efficiency. TorchRL fosters long-term support and is publicly available on GitHub for greater reproducibility and collaboration within the research community. The code is open-sourced on GitHub.  ( 2 min )

Plasticity, the ability of a neural network to quickly change its predictions in response to new information, is essential for the adaptability and robustness of deep reinforcement learning systems. Deep neural networks are known to lose plasticity over the course of training even in relatively simple learning problems, but the mechanisms driving this phenomenon are still poorly understood. This paper conducts a systematic empirical analysis into plasticity loss, with the goal of understanding the phenomenon mechanistically in order to guide the future development of targeted solutions. We find that loss of plasticity is deeply connected to changes in the curvature of the loss landscape, but that it often occurs in the absence of saturated units. Based on this insight, we identify a number of parameterization and optimization design choices which enable networks to better preserve plasticity over the course of training. We validate the utility of these findings on larger-scale RL benchmarks in the Arcade Learning Environment.  ( 2 min )

This paper considers a multi-environment linear regression model in which data from multiple experimental settings are collected. The joint distribution of the response variable and covariates may vary across different environments, yet the conditional expectations of $y$ given the unknown set of important variables are invariant. Such a statistical model is related to the problem of endogeneity, causal inference, and transfer learning. The motivation behind it is illustrated by how the goals of prediction and attribution are inherent in estimating the true parameter and the important variable set. We construct a novel environment invariant linear least squares (EILLS) objective function, a multi-environment version of linear least-squares regression that leverages the above conditional expectation invariance structure and heterogeneity among different environments to determine the true parameter. Our proposed method is applicable without any additional structural knowledge and can identify the true parameter under a near-minimal identification condition. We establish non-asymptotic $\ell_2$ error bounds on the estimation error for the EILLS estimator in the presence of spurious variables. Moreover, we further show that the $\ell_0$ penalized EILLS estimator can achieve variable selection consistency in high-dimensional regimes. These non-asymptotic results demonstrate the sample efficiency of the EILLS estimator and its capability to circumvent the curse of endogeneity in an algorithmic manner without any prior structural knowledge. To the best of our knowledge, this paper is the first to realize statistically efficient invariance learning in the general linear model.  ( 3 min )

How can one analyze detailed 3D biological objects, such as neurons and botanical trees, that exhibit complex geometrical and topological variation? In this paper, we develop a novel mathematical framework for representing, comparing, and computing geodesic deformations between the shapes of such tree-like 3D objects. A hierarchical organization of subtrees characterizes these objects -- each subtree has the main branch with some side branches attached -- and one needs to match these structures across objects for meaningful comparisons. We propose a novel representation that extends the Square-Root Velocity Function (SRVF), initially developed for Euclidean curves, to tree-shaped 3D objects. We then define a new metric that quantifies the bending, stretching, and branch sliding needed to deform one tree-shaped object into the other. Compared to the current metrics, such as the Quotient Euclidean Distance (QED) and the Tree Edit Distance (TED), the proposed representation and metric capture the full elasticity of the branches (i.e., bending and stretching) as well as the topological variations (i.e., branch death/birth and sliding). It completely avoids the shrinkage that results from the edge collapse and node split operations of the QED and TED metrics. We demonstrate the utility of this framework in comparing, matching, and computing geodesics between biological objects such as neurons and botanical trees. The framework is also applied to various shape analysis tasks: (i) symmetry analysis and symmetrization of tree-shaped 3D objects, (ii) computing summary statistics (means and modes of variations) of populations of tree-shaped 3D objects, (iii) fitting parametric probability distributions to such populations, and (iv) finally synthesizing novel tree-shaped 3D objects through random sampling from estimated probability distributions.  ( 3 min )

Physics-informed neural networks (PINNs) are revolutionizing science and engineering practice by bringing together the power of deep learning to bear on scientific computation. In forward modeling problems, PINNs are meshless partial differential equation (PDE) solvers that can handle irregular, high-dimensional physical domains. Naturally, the neural architecture hyperparameters have a large impact on the efficiency and accuracy of the PINN solver. However, this remains an open and challenging problem because of the large search space and the difficulty of identifying a proper search objective for PDEs. Here, we propose Auto-PINN, the first systematic, automated hyperparameter optimization approach for PINNs, which employs Neural Architecture Search (NAS) techniques to PINN design. Auto-PINN avoids manually or exhaustively searching the hyperparameter space associated with PINNs. A comprehensive set of pre-experiments using standard PDE benchmarks allows us to probe the structure-performance relationship in PINNs. We find that the different hyperparameters can be decoupled, and that the training loss function of PINNs is a good search objective. Comparison experiments with baseline methods demonstrate that Auto-PINN produces neural architectures with superior stability and accuracy over alternative baselines.  ( 2 min )

In the era of space exploration, the implications of space weather have become increasingly evident. Central to this is the phenomenon of coronal holes, which can significantly influence the functioning of satellites and aircraft. These coronal holes, present on the sun, are distinguished by their open magnetic field lines and comparatively cooler temperatures, leading to the emission of solar winds at heightened rates. To anticipate the effects of these coronal holes on Earth, our study harnesses computer vision to pinpoint the coronal hole regions and estimate their dimensions using imagery from the Solar Dynamics Observatory (SDO). Further, we deploy deep learning methodologies, specifically the Long Short-Term Memory (LSTM) approach, to analyze the trends in the data related to the area of the coronal holes and predict their dimensions across various solar regions over a span of seven days. By evaluating the time series data concerning the area of the coronal holes, our research seeks to uncover patterns in the behavior of coronal holes and comprehend their potential influence on space weather occurrences. This investigation marks a pivotal stride towards bolstering our capacity to anticipate and brace for space weather events that could have ramifications for Earth and its technological apparatuses.  ( 3 min )

Diffusion models have demonstrated remarkable progress in image generation quality, especially when guidance is used to control the generative process. However, guidance requires a large amount of image-annotation pairs for training and is thus dependent on their availability, correctness and unbiasedness. In this paper, we eliminate the need for such annotation by instead leveraging the flexibility of self-supervision signals to design a framework for self-guided diffusion models. By leveraging a feature extraction function and a self-annotation function, our method provides guidance signals at various image granularities: from the level of holistic images to object boxes and even segmentation masks. Our experiments on single-label and multi-label image datasets demonstrate that self-labeled guidance always outperforms diffusion models without guidance and may even surpass guidance based on ground-truth labels, especially on unbalanced data. When equipped with self-supervised box or mask proposals, our method further generates visually diverse yet semantically consistent images, without the need for any class, box, or segment label annotation. Self-guided diffusion is simple, flexible and expected to profit from deployment at scale. Source code will be at: https://taohu.me/sgdm/  ( 2 min )

We study low rank approximation of tensors, focusing on the tensor train and Tucker decompositions, as well as approximations with tree tensor networks and more general tensor networks. For tensor train decomposition, we give a bicriteria $(1 + \eps)$-approximation algorithm with a small bicriteria rank and $O(q \cdot \nnz(A))$ running time, up to lower order terms, which improves over the additive error algorithm of \cite{huber2017randomized}. We also show how to convert the algorithm of \cite{huber2017randomized} into a relative error algorithm, but their algorithm necessarily has a running time of $O(qr^2 \cdot \nnz(A)) + n \cdot \poly(qk/\eps)$ when converted to a $(1 + \eps)$-approximation algorithm with bicriteria rank $r$. To the best of our knowledge, our work is the first to achieve polynomial time relative error approximation for tensor train decomposition. Our key technique is a method for obtaining subspace embeddings with a number of rows polynomial in $q$ for a matrix which is the flattening of a tensor train of $q$ tensors. We extend our algorithm to tree tensor networks. In addition, we extend our algorithm to tensor networks with arbitrary graphs (which we refer to as general tensor networks), by using a result of \cite{ms08_simulating_quantum_tensor_contraction} and showing that a general tensor network of rank $k$ can be contracted to a binary tree network of rank $k^{O(\deg(G)\tw(G))}$, allowing us to reduce to the case of tree tensor networks. Finally, we give new fixed-parameter tractable algorithms for the tensor train, Tucker, and CP decompositions, which are simpler than those of \cite{swz19_tensor_low_rank} since they do not make use of polynomial system solvers. Our technique of Gaussian subspace embeddings with exactly $k$ rows (and thus exponentially small success probability) may be of independent interest.  ( 3 min )

While a big wave of artificial intelligence (AI) has propagated to the field of computational fluid dynamics (CFD) acceleration studies, recent research has highlighted that the development of AI techniques that reconciles the following goals remains our primary task: (1) accurate prediction of unseen (future) time series in long-term CFD simulations (2) acceleration of simulations (3) an acceptable amount of training data and time (4) within a multiple PDEs condition. In this study, we propose a residual-based physics-informed transfer learning (RePIT) strategy to achieve these four objectives using ML-CFD hybrid computation. Our hypothesis is that long-term CFD simulation is feasible with the hybrid method where CFD and AI alternately calculate time series while monitoring the first principle's residuals. The feasibility of RePIT strategy was verified through a CFD case study on natural convection. In a single training approach, a residual scale change occurred around 100th timestep, resulting in predicted time series exhibiting non-physical patterns as well as a significant deviations from the ground truth. Conversely, RePIT strategy maintained the residuals within the defined range and demonstrated good accuracy throughout the entire simulation period. The maximum error from the ground truth was below 0.4 K for temperature and 0.024 m/s for x-axis velocity. Furthermore, the average time for 1 timestep by the ML-GPU and CFD-CPU calculations was 0.171 s and 0.015 s, respectively. Including the parameter-updating time, the simulation was accelerated by a factor of 1.9. In conclusion, our RePIT strategy is a promising technique to reduce the cost of CFD simulations in industry. However, more vigorous optimization and improvement studies are still necessary.  ( 3 min )

We present a new method that includes three key components of distributed optimization and federated learning: variance reduction of stochastic gradients, partial participation, and compressed communication. We prove that the new method has optimal oracle complexity and state-of-the-art communication complexity in the partial participation setting. Regardless of the communication compression feature, our method successfully combines variance reduction and partial participation: we get the optimal oracle complexity, never need the participation of all nodes, and do not require the bounded gradients (dissimilarity) assumption.  ( 2 min )

Variance-reduced gradient estimators for policy gradient methods have been one of the main focus of research in the reinforcement learning in recent years as they allow acceleration of the estimation process. We propose a variance-reduced policy-gradient method, called SHARP, which incorporates second-order information into stochastic gradient descent (SGD) using momentum with a time-varying learning rate. SHARP algorithm is parameter-free, achieving $\epsilon$-approximate first-order stationary point with $O(\epsilon^{-3})$ number of trajectories, while using a batch size of $O(1)$ at each iteration. Unlike most previous work, our proposed algorithm does not require importance sampling which can compromise the advantage of variance reduction process. Moreover, the variance of estimation error decays with the fast rate of $O(1/t^{2/3})$ where $t$ is the number of iterations. Our extensive experimental evaluations show the effectiveness of the proposed algorithm on various control tasks and its advantage over the state of the art in practice.  ( 2 min )

Deep Neural Networks (DNNs) have performed admirably in classification tasks. However, the characterization of their classification uncertainties, required for certain applications, has been lacking. In this work, we investigate the issue by assessing DNNs' ability to estimate conditional probabilities and propose a framework for systematic uncertainty characterization. Denoting the input sample as x and the category as y, the classification task of assigning a category y to a given input x can be reduced to the task of estimating the conditional probabilities p(y|x), as approximated by the DNN at its last layer using the softmax function. Since softmax yields a vector whose elements all fall in the interval (0, 1) and sum to 1, it suggests a probabilistic interpretation to the DNN's outcome. Using synthetic and real-world datasets, we look into the impact of various factors, e.g., probability density f(x) and inter-categorical sparsity, on the precision of DNNs' estimations of p(y|x), and find that the likelihood probability density and the inter-categorical sparsity have greater impacts than the prior probability to DNNs' classification uncertainty.  ( 3 min )

Utility-Based Shortfall Risk (UBSR) is a risk metric that is increasingly popular in financial applications, owing to certain desirable properties that it enjoys. We consider the problem of estimating UBSR in a recursive setting, where samples from the underlying loss distribution are available one-at-a-time. We cast the UBSR estimation problem as a root finding problem, and propose stochastic approximation-based estimations schemes. We derive non-asymptotic bounds on the estimation error in the number of samples. We also consider the problem of UBSR optimization within a parameterized class of random variables. We propose a stochastic gradient descent based algorithm for UBSR optimization, and derive non-asymptotic bounds on its convergence.  ( 2 min )

Road maintenance planning is an integral part of road asset management. One of the main challenges in Maintenance and Rehabilitation (M&R) practices is to determine maintenance type and timing. This research proposes a framework using Reinforcement Learning (RL) based on the Long Term Pavement Performance (LTPP) database to determine the type and timing of M&R practices. A predictive DNN model is first developed in the proposed algorithm, which serves as the Environment for the RL algorithm. For the Policy estimation of the RL model, both DQN and PPO models are developed. However, PPO has been selected in the end due to better convergence and higher sample efficiency. Indicators used in this study are International Roughness Index (IRI) and Rutting Depth (RD). Initially, we considered Cracking Metric (CM) as the third indicator, but it was then excluded due to the much fewer data compared to other indicators, which resulted in lower accuracy of the results. Furthermore, in cost-effectiveness calculation (reward), we considered both the economic and environmental impacts of M&R treatments. Costs and environmental impacts have been evaluated with paLATE 2.0 software. Our method is tested on a hypothetical case study of a six-lane highway with 23 kilometers length located in Texas, which has a warm and wet climate. The results propose a 20-year M&R plan in which road condition remains in an excellent condition range. Because the early state of the road is at a good level of service, there is no need for heavy maintenance practices in the first years. Later, after heavy M&R actions, there are several 1-2 years of no need for treatments. All of these show that the proposed plan has a logical result. Decision-makers and transportation agencies can use this scheme to conduct better maintenance practices that can prevent budget waste and, at the same time, minimize the environmental impacts.  ( 3 min )

Artificial neural networks can be represented by paths. Generated as random walks on a dense network graph, we find that the resulting sparse networks allow for deterministic initialization and even weights with fixed sign. Such networks can be trained sparse from scratch, avoiding the expensive procedure of training a dense network and compressing it afterwards. Although sparse, weights are accessed as contiguous blocks of memory. In addition, enumerating the paths using deterministic low discrepancy sequences, for example the Sobol' sequence, amounts to connecting the layers of neural units by progressive permutations, which naturally avoids bank conflicts in parallel computer hardware. We demonstrate that the artificial neural networks generated by low discrepancy sequences can achieve an accuracy within reach of their dense counterparts at a much lower computational complexity.  ( 2 min )

In the multi-armed bandit framework, there are two formulations that are commonly employed to handle time-varying reward distributions: adversarial bandit and nonstationary bandit. Although their oracles, algorithms, and regret analysis differ significantly, we provide a unified formulation in this paper that smoothly bridges the two as special cases. The formulation uses an oracle that takes the best-fixed arm within time windows. Depending on the window size, it turns into the oracle in hindsight in the adversarial bandit and dynamic oracle in the nonstationary bandit. We provide algorithms that attain the optimal regret with the matching lower bound.  ( 2 min )

Deep neural networks (DNNs), the agents of deep learning (DL), require a massive number of parallel/sequential operations. This makes it difficult to comprehend DNNs' operations and impedes proper diagnosis. Without better knowledge of their internal process, deploying DNNs in high-stakes domains can lead to catastrophic failures. Therefore, to build more reliable DNNs/DL to be deployed in high-stakes real-world problems, it is imperative that we gain insights into DNNs' internal operations underlying their decision-making. Here, we use the self-organizing map (SOM) to analyze DL models' internal codes associated with DNNs' decision-making. Our analyses suggest that shallow layers close to the input layer compress features into condensed space and that deep layers close to the output layer expand feature space. We also found evidence indicating that compressed features may underlie DNNs' vulnerabilities to adversarial perturbations.  ( 2 min )

In a high-dimensional regression framework, we study consequences of the naive two-step procedure where first the dimension of the input variables is reduced and second, the reduced input variables are used to predict the output variable with kernel regression. In order to analyze the resulting regression errors, a novel stability result for kernel regression with respect to the Wasserstein distance is derived. This allows us to bound errors that occur when perturbed input data is used to fit the regression function. We apply the general stability result to principal component analysis (PCA). Exploiting known estimates from the literature on both principal component analysis and kernel regression, we deduce convergence rates for the two-step procedure. The latter turns out to be particularly useful in a semi-supervised setting.  ( 2 min )

It is common to model a deterministic response function, such as the output of a computer experiment, as a Gaussian process with a Mat\'ern covariance kernel. The smoothness parameter of a Mat\'ern kernel determines many important properties of the model in the large data limit, including the rate of convergence of the conditional mean to the response function. We prove that the maximum likelihood estimate of the smoothness parameter cannot asymptotically undersmooth the truth when the data are obtained on a fixed bounded subset of $\mathbb{R}^d$. That is, if the data-generating response function has Sobolev smoothness $\nu_0 > d/2$, then the smoothness parameter estimate cannot be asymptotically less than $\nu_0$. The lower bound is sharp. Additionally, we show that maximum likelihood estimation recovers the true smoothness for a class of compactly supported self-similar functions. For cross-validation we prove an asymptotic lower bound $\nu_0 - d/2$, which however is unlikely to be sharp. The results are based on approximation theory in Sobolev spaces and some general theorems that restrict the set of values that the parameter estimators can take.  ( 2 min )

Despite the advanced capabilities of contemporary machine learning (ML) models, they remain vulnerable to adversarial and backdoor attacks. This vulnerability is particularly concerning in real-world deployments, where compromised models may exhibit unpredictable behavior in critical scenarios. Such risks are heightened by the prevalent practice of collecting massive, internet-sourced datasets for pre-training multimodal models, as these datasets may harbor backdoors. Various techniques have been proposed to mitigate the effects of backdooring in these models such as CleanCLIP which is the current state-of-the-art approach. In this work, we demonstrate that the efficacy of CleanCLIP in mitigating backdoors is highly dependent on the particular objective used during model pre-training. We observe that stronger pre-training objectives correlate with harder to remove backdoors behaviors. We show this by training multimodal models on two large datasets consisting of 3 million (CC3M) and 6 million (CC6M) datapoints, under various pre-training objectives, followed by poison removal using CleanCLIP. We find that CleanCLIP is ineffective when stronger pre-training objectives are used, even with extensive hyperparameter tuning. Our findings underscore critical considerations for ML practitioners who pre-train models using large-scale web-curated data and are concerned about potential backdoor threats. Notably, our results suggest that simpler pre-training objectives are more amenable to effective backdoor removal. This insight is pivotal for practitioners seeking to balance the trade-offs between using stronger pre-training objectives and security against backdoor attacks.  ( 3 min )

Background: Discovering potential drug-drug interactions (DDIs) is a long-standing challenge in clinical treatments and drug developments. Recently, deep learning techniques have been developed for DDI prediction. However, they generally require a huge number of samples, while known DDIs are rare. Methods: In this work, we present KnowDDI, a graph neural network-based method that addresses the above challenge. KnowDDI enhances drug representations by adaptively leveraging rich neighborhood information from large biomedical knowledge graphs. Then, it learns a knowledge subgraph for each drug-pair to interpret the predicted DDI, where each of the edges is associated with a connection strength indicating the importance of a known DDI or resembling strength between a drug-pair whose connection is unknown. Thus, the lack of DDIs is implicitly compensated by the enriched drug representations and propagated drug similarities. Results: We evaluate KnowDDI on two benchmark DDI datasets. Results show that KnowDDI obtains the state-of-the-art prediction performance with better interpretability. We also find that KnowDDI suffers less than existing works given a sparser knowledge graph. This indicates that the propagated drug similarities play a more important role in compensating for the lack of DDIs when the drug representations are less enriched. Conclusions: KnowDDI nicely combines the efficiency of deep learning techniques and the rich prior knowledge in biomedical knowledge graphs. As an original open-source tool, KnowDDI can help detect possible interactions in a broad range of relevant interaction prediction tasks, such as protein-protein interactions, drug-target interactions and disease-gene interactions, eventually promoting the development of biomedicine and healthcare.  ( 3 min )

Natural language to code generation is an important application area of LLMs and has received wide attention from the community. The majority of relevant studies have exclusively concentrated on increasing the quantity and functional correctness of training sets while disregarding other stylistic elements of programs. More recently, data quality has garnered a lot of interest and multiple works have showcased its importance for improving performance. In this work, we investigate data quality for code and find that making the code more structured and readable leads to improved code generation performance of the system. We build a novel data-cleaning pipeline that uses these principles to transform existing programs by 1.) renaming variables, 2.) modularizing and decomposing complex code into smaller helper sub-functions, and 3.) inserting natural-language based plans via LLM based transformations. We evaluate our approach on two challenging algorithmic code generation benchmarks and find that fine-tuning CodeLLaMa-7B on our transformed modularized programs improves the performance by up to 30% compared to fine-tuning on the original dataset. Additionally, we demonstrate improved performance from using a smaller amount of higher-quality data, finding that a model fine-tuned on the entire original dataset is outperformed by a model trained on 15% of our cleaned dataset. Even in comparison to closed-source models, our models outperform the much larger AlphaCoder models.  ( 2 min )

This paper explores the application of Machine Learning (ML) and Natural Language Processing (NLP) techniques in cryptocurrency price forecasting, specifically Bitcoin (BTC) and Ethereum (ETH). Focusing on news and social media data, primarily from Twitter and Reddit, we analyse the influence of public sentiment on cryptocurrency valuations using advanced deep learning NLP methods. Alongside conventional price regression, we treat cryptocurrency price forecasting as a classification problem. This includes both the prediction of price movements (up or down) and the identification of local extrema. We compare the performance of various ML models, both with and without NLP data integration. Our findings reveal that incorporating NLP data significantly enhances the forecasting performance of our models. We discover that pre-trained models, such as Twitter-RoBERTa and BART MNLI, are highly effective in capturing market sentiment, and that fine-tuning Large Language Models (LLMs) also yields substantial forecasting improvements. Notably, the BART MNLI zero-shot classification model shows considerable proficiency in extracting bullish and bearish signals from textual data. All of our models consistently generate profit across different validation scenarios, with no observed decline in profits or reduction in the impact of NLP data over time. The study highlights the potential of text analysis in improving financial forecasts and demonstrates the effectiveness of various NLP techniques in capturing nuanced market sentiment.  ( 2 min )

Reinforcement Learning from Human Feedback (RLHF) has played a crucial role in the success of large models such as ChatGPT. RLHF is a reinforcement learning framework which combines human feedback to improve learning effectiveness and performance. However, obtaining preferences feedback manually is quite expensive in commercial applications. Some statistical commercial indicators are usually more valuable and always ignored in RLHF. There exists a gap between commercial target and model training. In our research, we will attempt to fill this gap with statistical business feedback instead of human feedback, using AB testing which is a well-established statistical method. Reinforcement Learning from Statistical Feedback (RLSF) based on AB testing is proposed. Statistical inference methods are used to obtain preferences for training the reward network, which fine-tunes the pre-trained model in reinforcement learning framework, achieving greater business value. Furthermore, we extend AB testing with double selections at a single time-point to ANT testing with multiple selections at different feedback time points. Moreover, we design numerical experiences to validate the effectiveness of our algorithm framework.  ( 2 min )

Deep learning models often exhibit overconfidence in predicting out-of-distribution (OOD) data, underscoring the crucial role of OOD detection in ensuring reliability in predictions. Among various OOD detection approaches, post-hoc detectors have gained significant popularity, primarily due to their ease of use and implementation. However, the effectiveness of most post-hoc OOD detectors has been constrained as they rely solely either on extreme information, such as the maximum logit, or on the collective information (i.e., information spanned across classes or training samples) embedded within the output layer. In this paper, we propose ExCeL that combines both extreme and collective information within the output layer for enhanced accuracy in OOD detection. We leverage the logit of the top predicted class as the extreme information (i.e., the maximum logit), while the collective information is derived in a novel approach that involves assessing the likelihood of other classes appearing in subsequent ranks across various training samples. Our idea is motivated by the observation that, for in-distribution (ID) data, the ranking of classes beyond the predicted class is more deterministic compared to that in OOD data. Experiments conducted on CIFAR100 and ImageNet-200 datasets demonstrate that ExCeL consistently is among the five top-performing methods out of twenty-one existing post-hoc baselines when the joint performance on near-OOD and far-OOD is considered (i.e., in terms of AUROC and FPR95). Furthermore, ExCeL shows the best overall performance across both datasets, unlike other baselines that work best on one dataset but has a performance drop in the other.  ( 3 min )

Soft sensors are crucial in bridging autonomous systems' physical and digital realms, enhancing sensor fusion and perception. Instead of deploying soft sensors on the Cloud, this study shift towards employing on-device soft sensors, promising heightened efficiency and bolstering data security. Our approach substantially improves energy efficiency by deploying Artificial Intelligence (AI) directly on devices within a wireless sensor network. Furthermore, the synergistic integration of the Microcontroller Unit and Field-Programmable Gate Array (FPGA) leverages the rapid AI inference capabilities of the latter. Empirical evidence from our real-world use case demonstrates that FPGA-based soft sensors achieve inference times ranging remarkably from 1.04 to 12.04 microseconds. These compelling results highlight the considerable potential of our innovative approach for executing real-time inference tasks efficiently, thereby presenting a feasible alternative that effectively addresses the latency challenges intrinsic to Cloud-based deployments.  ( 2 min )

Linear regression is one of the most fundamental linear algebra problems. Given a dense matrix $A \in \mathbb{R}^{n \times d}$ and a vector $b$, the goal is to find $x'$ such that $ \| Ax' - b \|_2^2 \leq (1+\epsilon) \min_{x} \| A x - b \|_2^2 $. The best classical algorithm takes $O(nd) + \mathrm{poly}(d/\epsilon)$ time [Clarkson and Woodruff STOC 2013, Nelson and Nguyen FOCS 2013]. On the other hand, quantum linear regression algorithms can achieve exponential quantum speedups, as shown in [Wang Phys. Rev. A 96, 012335, Kerenidis and Prakash ITCS 2017, Chakraborty, Gily{\'e}n and Jeffery ICALP 2019]. However, the running times of these algorithms depend on some quantum linear algebra-related parameters, such as $\kappa(A)$, the condition number of $A$. In this work, we develop a quantum algorithm that runs in $\widetilde{O}(\epsilon^{-1}\sqrt{n}d^{1.5}) + \mathrm{poly}(d/\epsilon)$ time. It provides a quadratic quantum speedup in $n$ over the classical lower bound without any dependence on data-dependent parameters. In addition, we also show our result can be generalized to multiple regression and ridge linear regression.  ( 2 min )

Mini-EUSO is a wide-angle fluorescence telescope that registers ultraviolet (UV) radiation in the nocturnal atmosphere of Earth from the International Space Station. Meteors are among multiple phenomena that manifest themselves not only in the visible range but also in the UV. We present two simple artificial neural networks that allow for recognizing meteor signals in the Mini-EUSO data with high accuracy in terms of a binary classification problem. We expect that similar architectures can be effectively used for signal recognition in other fluorescence telescopes, regardless of the nature of the signal. Due to their simplicity, the networks can be implemented in onboard electronics of future orbital or balloon experiments.  ( 3 min )

This document describes an approach used in the Multi-Machine Disruption Prediction Challenge for Fusion Energy by ITU, a data science competition which ran from September to November 2023, on the online platform Zindi. The competition involved data from three fusion devices - C-Mod, HL-2A, and J-TEXT - with most of the training data coming from the last two, and the test data coming from the first one. Each device has multiple diagnostics and signals, and it turns out that a critical issue in this competition was to identify which signals, and especially which features from those signals, were most relevant to achieve accurate predictions. The approach described here is based on extracting features from signals, and then applying logistic regression on top of those features. Each signal is treated as a separate predictor and, in the end, a combination of such predictors achieved the first place on the leaderboard.  ( 2 min )

On dedicated analog hardware, equilibrium propagation is an energy-efficient alternative to backpropagation. In spite of its theoretical guarantees, its application in the AI domain remains limited to the discriminative setting. Meanwhile, despite its high computational demands, generative AI is on the rise. In this paper, we demonstrate the application of Equilibrium Propagation in training a variational autoencoder (VAE) for generative modeling. Leveraging the symmetric nature of Hopfield networks, we propose using a single model to serve as both the encoder and decoder which could effectively halve the required chip size for VAE implementations, paving the way for more efficient analog hardware configurations.  ( 2 min )

Although gradient descent with momentum is widely used in modern deep learning, a concrete understanding of its effects on the training trajectory still remains elusive. In this work, we empirically show that momentum gradient descent with a large learning rate and learning rate warmup displays large catapults, driving the iterates towards flatter minima than those found by gradient descent. We then provide empirical evidence and theoretical intuition that the large catapult is caused by momentum "amplifying" the self-stabilization effect (Damian et al., 2023).  ( 2 min )

A system of coupled oscillators on an arbitrary graph is locally driven by the tendency to mutual synchronization between nearby oscillators, but can and often exhibit nonlinear behavior on the whole graph. Understanding such nonlinear behavior has been a key challenge in predicting whether all oscillators in such a system will eventually synchronize. In this paper, we demonstrate that, surprisingly, such nonlinear behavior of coupled oscillators can be effectively linearized in certain latent dynamic spaces. The key insight is that there is a small number of `latent dynamics filters', each with a specific association with synchronizing and non-synchronizing dynamics on subgraphs so that any observed dynamics on subgraphs can be approximated by a suitable linear combination of such elementary dynamic patterns. Taking an ensemble of subgraph-level predictions provides an interpretable predictor for whether the system on the whole graph reaches global synchronization. We propose algorithms based on supervised matrix factorization to learn such latent dynamics filters. We demonstrate that our method performs competitively in synchronization prediction tasks against baselines and black-box classification algorithms, despite its simple and interpretable architecture.  ( 2 min )

A key problem in off-policy Reinforcement Learning (RL) is the mismatch, or distribution shift, between the dataset and the distribution over states and actions visited by the learned policy. This problem is exacerbated in the fully offline setting. The main approach to correct this shift has been through importance sampling, which leads to high-variance gradients. Other approaches, such as conservatism or behavior-regularization, regularize the policy at the cost of performance. In this paper, we propose a new approach for stable off-policy Q-Learning. Our method, Projected Off-Policy Q-Learning (POP-QL), is a novel actor-critic algorithm that simultaneously reweights off-policy samples and constrains the policy to prevent divergence and reduce value-approximation error. In our experiments, POP-QL not only shows competitive performance on standard benchmarks, but also out-performs competing methods in tasks where the data-collection policy is significantly sub-optimal.  ( 2 min )

Automated driving object detection has always been a challenging task in computer vision due to environmental uncertainties. These uncertainties include significant differences in object sizes and encountering the class unseen. It may result in poor performance when traditional object detection models are directly applied to automated driving detection. Because they usually presume fixed categories of common traffic participants, such as pedestrians and cars. Worsely, the huge class imbalance between common and novel classes further exacerbates performance degradation. To address the issues stated, we propose OpenNet to moderate the class imbalance with the Balanced Loss, which is based on Cross Entropy Loss. Besides, we adopt an inductive layer based on gradient reshaping to fast learn new classes with limited samples during incremental learning. To against catastrophic forgetting, we employ normalized feature distillation. By the way, we improve multi-scale detection robustness and unknown class recognition through FPN and energy-based detection, respectively. The Experimental results upon the CODA dataset show that the proposed method can obtain better performance than that of the existing methods.  ( 2 min )

In machine learning, exploring data correlations to predict outcomes is a fundamental task. Recognizing causal relationships embedded within data is pivotal for a comprehensive understanding of system dynamics, the significance of which is paramount in data-driven decision-making processes. Beyond traditional methods, there has been a surge in the use of graph neural networks (GNNs) for causal learning, given their capabilities as universal data approximators. Thus, a thorough review of the advancements in causal learning using GNNs is both relevant and timely. To structure this review, we introduce a novel taxonomy that encompasses various state-of-the-art GNN methods employed in studying causality. GNNs are further categorized based on their applications in the causality domain. We further provide an exhaustive compilation of datasets integral to causal learning with GNNs to serve as a resource for practical study. This review also touches upon the application of causal learning across diverse sectors. We conclude the review with insights into potential challenges and promising avenues for future exploration in this rapidly evolving field of machine learning.  ( 2 min )

The adversarial robustness of Graph Neural Networks (GNNs) has been questioned due to the false sense of security uncovered by strong adaptive attacks despite the existence of numerous defenses. In this work, we delve into the robustness analysis of representative robust GNNs and provide a unified robust estimation point of view to understand their robustness and limitations. Our novel analysis of estimation bias motivates the design of a robust and unbiased graph signal estimator. We then develop an efficient Quasi-Newton iterative reweighted least squares algorithm to solve the estimation problem, which unfolds as robust unbiased aggregation layers in GNNs with a theoretical convergence guarantee. Our comprehensive experiments confirm the strong robustness of our proposed model, and the ablation study provides a deep understanding of its advantages.  ( 2 min )

Shellfish production constitutes an important sector for the economy of many Portuguese coastal regions, yet the challenge of shellfish biotoxin contamination poses both public health concerns and significant economic risks. Thus, predicting shellfish contamination levels holds great potential for enhancing production management and safeguarding public health. In our study, we utilize a dataset with years of Sentinel-3 satellite imagery for marine surveillance, along with shellfish biotoxin contamination data from various production areas along Portugal's western coastline, collected by Portuguese official control. Our goal is to evaluate the integration of satellite data in forecasting models for predicting toxin concentrations in shellfish given forecasting horizons up to four weeks, which implies extracting a small set of useful features and assessing their impact on the predictive models. We framed this challenge as a time-series forecasting problem, leveraging historical contamination levels and satellite images for designated areas. While contamination measurements occurred weekly, satellite images were accessible multiple times per week. Unsupervised feature extraction was performed using autoencoders able to handle non-valid pixels caused by factors like cloud cover, land, or anomalies. Finally, several Artificial Neural Networks models were applied to compare univariate (contamination only) and multivariate (contamination and satellite data) time-series forecasting. Our findings show that incorporating these features enhances predictions, especially beyond one week in lagoon production areas (RIAV) and for the 1-week and 2-week horizons in the L5B area (oceanic). The methodology shows the feasibility of integrating information from a high-dimensional data source like remote sensing without compromising the model's predictive ability.  ( 3 min )

Recently, federated learning (FL) is popular for its privacy-preserving and collaborative learning abilities. However, under statistically heterogeneous scenarios, we observe that biased data domains on clients cause a representation bias phenomenon and further degenerate generic representations during local training, i.e., the representation degeneration phenomenon. To address these issues, we propose a general framework Domain Bias Eliminator (DBE) for FL. Our theoretical analysis reveals that DBE can promote bi-directional knowledge transfer between server and client, as it reduces the domain discrepancy between server and client in representation space. Besides, extensive experiments on four datasets show that DBE can greatly improve existing FL methods in both generalization and personalization abilities. The DBE-equipped FL method can outperform ten state-of-the-art personalized FL methods by a large margin. Our code is public at https://github.com/TsingZ0/DBE.  ( 2 min )

In this study, we investigate the quantification of the statistical reliability of detected change points (CPs) in time series using a Recurrent Neural Network (RNN). Thanks to its flexibility, RNN holds the potential to effectively identify CPs in time series characterized by complex dynamics. However, there is an increased risk of erroneously detecting random noise fluctuations as CPs. The primary goal of this study is to rigorously control the risk of false detections by providing theoretically valid p-values to the CPs detected by RNN. To achieve this, we introduce a novel method based on the framework of Selective Inference (SI). SI enables valid inferences by conditioning on the event of hypothesis selection, thus mitigating selection bias. In this study, we apply SI framework to RNN-based CP detection, where characterizing the complex process of RNN selecting CPs is our main technical challenge. We demonstrate the validity and effectiveness of the proposed method through artificial and real data experiments.  ( 2 min )

Information exchange in multi-agent systems improves the cooperation among agents, especially in partially observable settings. In the real world, communication is often carried out over imperfect channels. This requires agents to handle uncertainty due to potential information loss. In this paper, we consider a cooperative multi-agent system where the agents act and exchange information in a decentralized manner using a limited and unreliable channel. To cope with such channel constraints, we propose a novel communication approach based on independent Q-learning. Our method allows agents to dynamically adapt how much information to share by sending messages of different sizes, depending on their local observations and the channel's properties. In addition to this message size selection, agents learn to encode and decode messages to improve their jointly trained policies. We show that our approach outperforms approaches without adaptive capabilities in a novel cooperative digit-prediction environment and discuss its limitations in the traffic junction environment.  ( 2 min )

This work considers the fundamental problem of learning an unknown object from training data using a given model class. We introduce a unified framework that allows for objects in arbitrary Hilbert spaces, general types of (random) linear measurements as training data and general types of nonlinear model classes. We establish a series of learning guarantees for this framework. These guarantees provide explicit relations between the amount of training data and properties of the model class to ensure near-best generalization bounds. In doing so, we also introduce and develop the key notion of the variation of a model class with respect to a distribution of sampling operators. To exhibit the versatility of this framework, we show that it can accommodate many different types of well-known problems of interest. We present examples such as matrix sketching by random sampling, compressed sensing with isotropic vectors, active learning in regression and compressed sensing with generative models. In all cases, we show how known results become straightforward corollaries of our general learning guarantees. For compressed sensing with generative models, we also present a number of generalizations and improvements of recent results. In summary, our work not only introduces a unified way to study learning unknown objects from general types of data, but also establishes a series of general theoretical guarantees which consolidate and improve various known results.  ( 3 min )

Foundation models, specifically Large Language Models (LLM's), have lately gained wide-spread attention and adoption. Reinforcement Learning with Human Feedback (RLHF) involves training a reward model to capture desired behaviors, which is then used to align an LLM. These reward models are additionally used at inference-time to estimate how well LLM responses adhere to those desired behaviors. However, there is little work measuring how robust these reward models are to distribution shifts. In this work, we evaluate how reward model performance - measured via accuracy and calibration (i.e. alignment between accuracy and confidence) - is affected by distribution shift. We show novel calibration patterns and accuracy drops due to OOD prompts and responses, and that the reward model is more sensitive to shifts in responses than prompts. Additionally, we adapt an OOD detection technique commonly used in classification to the reward model setting in order to detect these distribution shifts in prompts and responses.  ( 2 min )

Structural and Positional Encodings can significantly improve the performance of Graph Neural Networks in downstream tasks. Recent literature has begun to systematically investigate differences in the structural properties that these approaches encode, as well as performance trade-offs between them. However, the question of which structural properties yield the most effective encoding remains open. In this paper, we investigate this question from a geometric perspective. We propose a novel structural encoding based on discrete Ricci curvature (Local Curvature Profiles, short LCP) and show that it significantly outperforms existing encoding approaches. We further show that combining local structural encodings, such as LCP, with global positional encodings improves downstream performance, suggesting that they capture complementary geometric information. Finally, we compare different encoding types with (curvature-based) rewiring techniques. Rewiring has recently received a surge of interest due to its ability to improve the performance of Graph Neural Networks by mitigating over-smoothing and over-squashing effects. Our results suggest that utilizing curvature information for structural encodings delivers significantly larger performance increases than rewiring.  ( 2 min )

The use of machine learning to generate synthetic data has grown in popularity with the proliferation of text-to-image models and especially large language models. The core methodology these models use is to learn the distribution of the underlying data, similar to the classical methods common in finance of fitting statistical models to data. In this work, we explore the efficacy of using modern machine learning methods, specifically conditional importance weighted autoencoders (a variant of variational autoencoders) and conditional normalizing flows, for the task of modeling the returns of equities. The main problem we work to address is modeling the joint distribution of all the members of the S&P 500, or, in other words, learning a 500-dimensional joint distribution. We show that this generative model has a broad range of applications in finance, including generating realistic synthetic data, volatility and correlation estimation, risk analysis (e.g., value at risk, or VaR, of portfolios), and portfolio optimization.  ( 2 min )

Relying on crowdsourced workers, data crowdsourcing platforms are able to efficiently provide vast amounts of labeled data. Due to the variability in the annotation quality of crowd workers, modern techniques resort to redundant annotations and subsequent label aggregation to infer true labels. However, these methods require model updating during the inference, posing challenges in real-world implementation. Meanwhile, in recent years, many data labeling tasks have begun to require skilled and experienced annotators, leading to an increasing demand for long-term annotators. These annotators could leave substantial historical annotation records on the crowdsourcing platforms, which can benefit label aggregation, but are ignored by previous works. Hereby, in this paper, we propose a novel label aggregation technique, which does not need any model updating during inference and can extensively explore the historical annotation records. We call it SuperLA, a Supervised Label Aggregation method. Inside this model, we design three types of input features and a straightforward neural network structure to merge all the information together and subsequently produce aggregated labels. Based on comparison experiments conducted on 22 public datasets and 11 baseline methods, we find that SuperLA not only outperforms all those baselines in inference performance but also offers significant advantages in terms of efficiency.  ( 2 min )

Deep learning models have proven to be highly successful. Yet, their over-parameterization gives rise to model multiplicity, a phenomenon in which multiple models achieve similar performance but exhibit distinct underlying behaviours. This multiplicity presents a significant challenge and necessitates additional specifications in model selection to prevent unexpected failures during deployment. While prior studies have examined these concerns, they focus on individual metrics in isolation, making it difficult to obtain a comprehensive view of multiplicity in trustworthy machine learning. Our work stands out by offering a one-stop empirical benchmark of multiplicity across various dimensions of model design and its impact on a diverse set of trustworthy metrics. In this work, we establish a consistent language for studying model multiplicity by translating several trustworthy metrics into accuracy under appropriate interventions. We also develop a framework, which we call multiplicity sheets, to benchmark multiplicity in various scenarios. We demonstrate the advantages of our setup through a case study in image classification and provide actionable insights into the impact and trends of different hyperparameters on model multiplicity. Finally, we show that multiplicity persists in deep learning models even after enforcing additional specifications during model selection, highlighting the severity of over-parameterization. The concerns of under-specification thus remain, and we seek to promote a more comprehensive discussion of multiplicity in trustworthy machine learning.  ( 2 min )

Our work presents two fundamental contributions. On the application side, we tackle the challenging problem of predicting day-ahead crypto-currency prices. On the methodological side, a new dynamical modeling approach is proposed. Our approach keeps the probabilistic formulation of the state-space model, which provides uncertainty quantification on the estimates, and the function approximation ability of deep neural networks. We call the proposed approach the deep state-space model. The experiments are carried out on established cryptocurrencies (obtained from Yahoo Finance). The goal of the work has been to predict the price for the next day. Benchmarking has been done with both state-of-the-art and classical dynamical modeling techniques. Results show that the proposed approach yields the best overall results in terms of accuracy.  ( 2 min )

In this research, we developed a graph-based framework to represent various aspects of optimal thermal management system design, with the aim of rapidly and efficiently identifying optimal design candidates. Initially, the graph-based framework is utilized to generate diverse thermal management system architectures. The dynamics of these system architectures are modeled under various loading conditions, and an open-loop optimal controller is employed to determine each system's optimal performance. These modeled cases constitute the dataset, with the corresponding optimal performance values serving as the labels for the data. In the subsequent step, a Graph Neural Network (GNN) model is trained on 30% of the labeled data to predict the systems' performance, effectively addressing a regression problem. Utilizing this trained model, we estimate the performance values for the remaining 70% of the data, which serves as the test set. In the third step, the predicted performance values are employed to rank the test data, facilitating prioritized evaluation of the design scenarios. Specifically, a small subset of the test data with the highest estimated ranks undergoes evaluation via the open-loop optimal control solver. This targeted approach concentrates on evaluating higher-ranked designs identified by the GNN, replacing the exhaustive search (enumeration-based) of all design cases. The results demonstrate a significant average reduction of over 92% in the number of system dynamic modeling and optimal control analyses required to identify optimal design scenarios.  ( 3 min )

Data-Free Meta-Learning (DFML) aims to efficiently learn new tasks by leveraging multiple pre-trained models without requiring their original training data. Existing inversion-based DFML methods construct pseudo tasks from a learnable dataset, which is inversely generated from the pre-trained model pool. For the first time, we reveal two major challenges hindering their practical deployments: Task-Distribution Shift (TDS) and Task-Distribution Corruption (TDC). TDS leads to a biased meta-learner because of the skewed task distribution towards newly generated tasks. TDC occurs when untrusted models characterized by misleading labels or poor quality pollute the task distribution. To tackle these issues, we introduce a robust DFML framework that ensures task distributional robustness. We propose to meta-learn from a pseudo task distribution, diversified through task interpolation within a compact task-memory buffer. This approach reduces the meta-learner's overreliance on newly generated tasks by maintaining consistent performance across a broader range of interpolated memory tasks, thus ensuring its generalization for unseen tasks. Additionally, our framework seamlessly incorporates an automated model selection mechanism into the meta-training phase, parameterizing each model's reliability as a learnable weight. This is optimized with a policy gradient algorithm inspired by reinforcement learning, effectively addressing the non-differentiable challenge posed by model selection. Comprehensive experiments across various datasets demonstrate the framework's effectiveness in mitigating TDS and TDC, underscoring its potential to improve DFML in real-world scenarios.  ( 2 min )

Since no solutions have been proposed in Colombia that seek to reduce the consumption of electricity at the residential level, this paper describes the design and implementation of a simple prototype of a low-cost home energy management system (HEMS). The objective of this plat-form is to monitor the energy consumption of typical household devices so that users can access the consumption of each device separately and then establish the strategy that allows them to reduce energy consumption at home. In order to demonstrate that our system is viable, the system has been evaluated by measuring weekly energy consumption with the on-line and off-line HEMS using a test bench with typical household devices in a Sincelejo typical household. The evaluation has shown that with the installation of this HEMS, consumption is reduced by 27%. This shows that it is possible to achieve a good reduction percentage with a low-cost system.  ( 2 min )

This paper proposes set features for detecting anomalies in samples that consist of unusual combinations of normal elements. Many leading methods discover anomalies by detecting an unusual part of a sample. For example, state-of-the-art segmentation-based approaches, first classify each element of the sample (e.g., image patch) as normal or anomalous and then classify the entire sample as anomalous if it contains anomalous elements. However, such approaches do not extend well to scenarios where the anomalies are expressed by an unusual combination of normal elements. In this paper, we overcome this limitation by proposing set features that model each sample by the distribution of its elements. We compute the anomaly score of each sample using a simple density estimation method, using fixed features. Our approach outperforms the previous state-of-the-art in image-level logical anomaly detection and sequence-level time series anomaly detection.  ( 2 min )

Instruction tuning has emerged as a key step in aligning large language models. One of the central challenges of instruction tuning is dataset selection, as the composition of the instruction tuning dataset can significantly impact downstream performance. In particular, researchers have hypothesized that dataset diversity and dataset quality are important indicators of downstream performance. However, it is not clear how to automatically select high quality and diverse data or how exactly quality and diversity affect instruction following ability. To resolve these issues, we propose a new algorithm, Quality-Diversity Instruction Tuning (QDIT). QDIT provides a principled algorithm to control dataset diversity and quality, allowing us to conduct an in depth study on the effect of diversity and quality on instruction tuning performance. From this study we draw two key insights (1) there is a natural tradeoff between dataset diversity and quality and (2) increasing dataset diversity significantly improves the worst case instruction following performance, therefore improving robustness. We validate the performance of QDIT on several large scale instruction tuning datasets, where we find it can improve worst case performance by 18% while maintaining or improving average performance compared to quality driven baselines.  ( 2 min )

Accurate Defect detection is crucial for ensuring the trustworthiness of intelligent railway systems. Current approaches rely on single deep-learning models, like CNNs, which employ a large amount of data to capture underlying patterns. Training a new defect classifier with limited samples often leads to overfitting and poor performance on unseen images. To address this, researchers have advocated transfer learning and fine-tuning the pre-trained models. However, using a single backbone network in transfer learning still may cause bottleneck issues and inconsistent performance if it is not suitable for a specific problem domain. To overcome these challenges, we propose a reusable AI-enabled defect detection approach. By combining ensemble learning with transfer learning models (VGG-19, MobileNetV3, and ResNet-50), we improved the classification accuracy and achieved consistent performance at a certain phase of training. Our empirical analysis demonstrates better and more consistent performance compared to other state-of-the-art approaches. The consistency substantiates the reusability of the defect detection system for newly evolved defected rail parts. Therefore we anticipate these findings to benefit further research and development of reusable AI-enabled solutions for railway systems.  ( 2 min )

Effectively modeling phenomena present in highly nonlinear dynamical systems whilst also accurately quantifying uncertainty is a challenging task, which often requires problem-specific techniques. We outline the deep latent force model (DLFM), a domain-agnostic approach to tackling this problem, which consists of a deep Gaussian process architecture where the kernel at each layer is derived from an ordinary differential equation using the framework of process convolutions. Two distinct formulations of the DLFM are presented which utilise weight-space and variational inducing points-based Gaussian process approximations, both of which are amenable to doubly stochastic variational inference. We provide evidence that our model is capable of capturing highly nonlinear behaviour in real-world multivariate time series data. In addition, we find that our approach achieves comparable performance to a number of other probabilistic models on benchmark regression tasks. We also empirically assess the negative impact of the inducing points framework on the extrapolation capabilities of LFM-based models.  ( 2 min )

Echoing the history of search engines and social media content rankings, the advent of large language models (LLMs) has led to a push for increased personalization of model outputs to individual users. In the past, personalized recommendations and ranking systems have been linked to the development of filter bubbles (serving content that may confirm a user's existing biases) and affective polarization (strong negative sentiment towards those with differing views). In this work, we explore how prompting a leading large language model, ChatGPT-3.5, with a user's political affiliation prior to asking factual questions about public figures and organizations leads to differing results. We observe that left-leaning users tend to receive more positive statements about left-leaning political figures and media outlets, while right-leaning users see more positive statements about right-leaning entities. This pattern holds across presidential candidates, members of the U.S. Senate, and media organizations with ratings from AllSides. When qualitatively evaluating some of these outputs, there is evidence that particular facts are included or excluded based on the user's political affiliation. These results illustrate that personalizing LLMs based on user demographics carry the same risks of affective polarization and filter bubbles that have been seen in other personalized internet technologies. This ``failure mode" should be monitored closely as there are more attempts to monetize and personalize these models.  ( 2 min )

Adversarial attacks are an important security concern for computer vision (CV), as they enable malicious attackers to reliably manipulate CV models. Existing attacks aim to elicit an output desired by the attacker, but keep the model fully intact on clean data. With CV models becoming increasingly valuable assets in applied practice, a new attack vector is emerging: disrupting the models as a form of economic sabotage. This paper opens up the exploration of damaging adversarial attacks (DAAs) that seek to damage the target model and maximize the total cost incurred by the damage. As a pioneer DAA, this paper proposes Trainwreck, a train-time attack that poisons the training data of image classifiers to degrade their performance. Trainwreck conflates the data of similar classes using stealthy ($\epsilon \leq 8/255$) class-pair universal perturbations computed using a surrogate model. Trainwreck is a black-box, transferable attack: it requires no knowledge of the target model's architecture, and a single poisoned dataset degrades the performance of any model trained on it. The experimental evaluation on CIFAR-10 and CIFAR-100 demonstrates that Trainwreck is indeed an effective attack across various model architectures including EfficientNetV2, ResNeXt-101, and a finetuned ViT-L-16. The strength of the attack can be customized by the poison rate parameter. Finally, data redundancy with file hashing and/or pixel difference are identified as a reliable defense technique against Trainwreck or similar DAAs. The code is available at https://github.com/JanZahalka/trainwreck.  ( 2 min )

This paper investigates an approach to both speed up business decision-making and lower the cost of learning through experimentation by factorizing business policies and employing fractional factorial experimental designs for their evaluation. We illustrate how this method integrates with advances in the estimation of heterogeneous treatment effects, elaborating on its advantages and foundational assumptions. We empirically demonstrate the implementation and benefits of our approach and assess its validity in evaluating consumer promotion policies at DoorDash, which is one of the largest delivery platforms in the US. Our approach discovers a policy with 5% incremental profit at 67% lower implementation cost.  ( 2 min )

There is growing concern that the potential of black box AI may exacerbate health-related disparities and biases such as gender and ethnicity in clinical decision-making. Biased decisions can arise from data availability and collection processes, as well as from the underlying confounding effects of the protected attributes themselves. This work proposes a machine learning-based orthogonal approach aiming to analyze and suppress the effect of the confounder through discriminant dimensionality reduction and orthogonalization of the protected attributes against the primary attribute information. By doing so, the impact of the protected attributes on disease diagnosis can be realized, undesirable feature correlations can be mitigated, and the model prediction performance can be enhanced.  ( 2 min )

Transformers, central to the successes in modern Natural Language Processing, often falter on arithmetic tasks despite their vast capabilities --which paradoxically include remarkable coding abilities. We observe that a crucial challenge is their naive reliance on positional information to solve arithmetic problems with a small number of digits, leading to poor performance on larger numbers. Herein, we delve deeper into the role of positional encoding, and propose several ways to fix the issue, either by modifying the positional encoding directly, or by modifying the representation of the arithmetic task to leverage standard positional encoding differently. We investigate the value of these modifications for three tasks: (i) classical multiplication, (ii) length extrapolation in addition, and (iii) addition in natural language context. For (i) we train a small model on a small dataset (100M parameters and 300k samples) with remarkable aptitude in (direct, no scratchpad) 15 digits multiplication and essentially perfect up to 12 digits, while usual training in this context would give a model failing at 4 digits multiplication. In the experiments on addition, we use a mere 120k samples to demonstrate: for (ii) extrapolation from 10 digits to testing on 12 digits numbers while usual training would have no extrapolation, and for (iii) almost perfect accuracy up to 5 digits while usual training would be correct only up to 3 digits (which is essentially memorization with a training set of 120k samples).  ( 2 min )

Despite the impressive achievements of pre-trained models in the fields of natural language processing (NLP) and computer vision (CV), progress in the domain of time series analysis has been limited. In contrast to NLP and CV, where a single model can handle various tasks, time series analysis still relies heavily on task-specific methods for activities such as classification, anomaly detection, forecasting, and few-shot learning. The primary obstacle to developing a pre-trained model for time series analysis is the scarcity of sufficient training data. In our research, we overcome this obstacle by utilizing pre-trained models from language or CV, which have been trained on billions of data points, and apply them to time series analysis. We assess the effectiveness of the pre-trained transformer model in two ways. Initially, we maintain the original structure of the self-attention and feedforward layers in the residual blocks of the pre-trained language or image model, using the Frozen Pre-trained Transformer (FPT) for time series analysis with the addition of projection matrices for input and output. Additionally, we introduce four unique adapters, designed specifically for downstream tasks based on the pre-trained model, including forecasting and anomaly detection. These adapters are further enhanced with efficient parameter tuning, resulting in superior performance compared to all state-of-the-art methods.Our comprehensive experimental studies reveal that (a) the simple FPT achieves top-tier performance across various time series analysis tasks; and (b) fine-tuning the FPT with the custom-designed adapters can further elevate its performance, outshining specialized task-specific models.  ( 3 min )

With the rise of Large Language Models (LLMs), notably characterized by GPT frameworks, there emerges a catalyst for novel healthcare applications. Earlier iterations of chatbot caregivers, though existent, have yet to achieve a dimension of human-like authenticity. This paper unveils `MemoryCompanion' a pioneering digital health solution explicitly tailored for Alzheimer's disease (AD) patients and their caregivers. Drawing upon the nuances of GPT technology and prompt engineering, MemoryCompanion manifests a personalized caregiving paradigm, fostering interactions via voice-cloning and talking-face mechanisms that resonate with the familiarity of known companions. Using advanced prompt-engineering, the system intricately adapts to each patient's distinct profile, curating its content and communication style accordingly. This approach strives to counteract prevalent issues of social isolation and loneliness frequently observed in AD demographics. Our methodology, grounded in its innovative design, addresses both the caregiving and technological challenges intrinsic to this domain.  ( 2 min )

We introduce a large language model (LLM) based approach to answer complex questions requiring multi-hop numerical reasoning over financial reports. While LLMs have exhibited remarkable performance on various natural language and reasoning tasks, complex reasoning problems often rely on few-shot prompts that require carefully crafted examples. In contrast, our approach uses novel zero-shot prompts that guide the LLM to encode the required reasoning into a Python program or a domain specific language. The generated program is then executed by a program interpreter, thus mitigating the limitations of LLM in performing accurate arithmetic calculations. We evaluate the proposed approach on three financial datasets using some of the recently developed generative pretrained transformer (GPT) models and perform comparisons with various zero-shot baselines. The experimental results demonstrate that our approach significantly improves the accuracy for all the LLMs over their respective baselines. We provide a detailed analysis of the results, generating insights to support our findings. The success of our approach demonstrates the enormous potential to extract complex domain specific numerical reasoning by designing zero-shot prompts to effectively exploit the knowledge embedded in LLMs.  ( 2 min )

In this work, we present a method to generate a configurational level fingerprint for polymers using the Bead-Spring-Model. Unlike some of the previous fingerprinting approaches that employ monomer-level information where atomistic descriptors are computed using quantum chemistry calculations, this approach incorporates configurational information from a coarse-grained model of a long polymer chain. The proposed approach may be advantageous for the study of behavior resulting from large molecular weights. To create this fingerprint, we make use of two kinds of descriptors. First, we calculate certain geometric descriptors like Re2, Rg2 etc. and label them as Calculated Descriptors. Second, we generate a set of data-driven descriptors using an unsupervised autoencoder model and call them Learnt Descriptors. Using a combination of both of them, we are able to learn mappings from the structure to various properties of the polymer chain by training ML models. We test our fingerprint to predict the probability of occurrence of a configuration at equilibrium, which is approximated by a simple linear relationship between the instantaneous internal energy and equilibrium average internal energy.  ( 2 min )

The rising influence of social media platforms in various domains, including tourism, has highlighted the growing need for efficient and automated natural language processing (NLP) approaches to take advantage of this valuable resource. However, the transformation of multilingual, unstructured, and informal texts into structured knowledge often poses significant challenges. In this work, we evaluate and compare few-shot, pattern-exploiting and fine-tuning machine learning techniques on large multilingual language models (LLMs) to establish the best strategy to address the lack of annotated data for 3 common NLP tasks in the tourism domain: (1) Sentiment Analysis, (2) Named Entity Recognition, and (3) Fine-grained Thematic Concept Extraction (linked to a semantic resource). Furthermore, we aim to ascertain the quantity of annotated examples required to achieve good performance in those 3 tasks, addressing a common challenge encountered by NLP researchers in the construction of domain-specific datasets. Extensive experimentation on a newly collected and annotated multilingual (French, English, and Spanish) dataset composed of tourism-related tweets shows that current few-shot learning techniques allow us to obtain competitive results for all three tasks with very little annotation data: 5 tweets per label (15 in total) for Sentiment Analysis, 10% of the tweets for location detection (around 160) and 13% (200 approx.) of the tweets annotated with thematic concepts, a highly fine-grained sequence labeling task based on an inventory of 315 classes. This comparative analysis, grounded in a novel dataset, paves the way for applying NLP to new domain-specific applications, reducing the need for manual annotations and circumventing the complexities of rule-based, ad hoc solutions.  ( 3 min )

We study the task of gesture recognition from electromyography (EMG), with the goal of enabling expressive human-computer interaction at high accuracy, while minimizing the time required for new subjects to provide calibration data. To fulfill these goals, we define combination gestures consisting of a direction component and a modifier component. New subjects only demonstrate the single component gestures and we seek to extrapolate from these to all possible single or combination gestures. We extrapolate to unseen combination gestures by combining the feature vectors of real single gestures to produce synthetic training data. This strategy allows us to provide a large and flexible gesture vocabulary, while not requiring new subjects to demonstrate combinatorially many example gestures. We pre-train an encoder and a combination operator using self-supervision, so that we can produce useful synthetic training data for unseen test subjects. To evaluate the proposed method, we collect a real-world EMG dataset, and measure the effect of augmented supervision against two baselines: a partially-supervised model trained with only single gesture data from the unseen subject, and a fully-supervised model trained with real single and real combination gesture data from the unseen subject. We find that the proposed method provides a dramatic improvement over the partially-supervised model, and achieves a useful classification accuracy that in some cases approaches the performance of the fully-supervised model.  ( 2 min )